C_ID |
CAS ID |
Metabolite |
Molecular formula |
Mw | Organism |
C00000149 | 6750-60-3 | Espatulenol | C15H24O | 220.18271539 | Acorus calamus |
C00000152 | 7400-08-0 | p-Coumaric acid | C9H8O3 | 164.04734412 | Acorus calamus |
C00000619 | 97-53-0 | Eugenol | C10H12O2 | 164.08372963 | Acorus calamus |
C00000633 | 73036-51-8 | Acoradin | C24H32O6 | 416.21988875 | Acorus calamus |
C00000805 | 80-56-8 | alpha-Pinene | C10H16 | 136.12520051 | Acorus calamus |
C00000816 | 127-91-3 | beta-Pinene | C10H16 | 136.12520051 | Acorus calamus |
C00000819 | 76-22-2 | (+)-Camphor | C10H16O | 152.12011513 | Acorus calamus |
C00000823 | 138-86-3 | Limonene | C10H16 | 136.12520051 | Acorus calamus |
C00000843 | 3338-55-4 | cis-beta-Ocimene | C10H16 | 136.12520051 | Acorus calamus |
C00000844 | 106-22-9 | Citronellol | C10H20O | 156.15141526 | Acorus calamus |
C00000845 | 106-24-1 | (E)-geraniol | C10H18O | 154.1357652 | Acorus calamus |
C00000862 | 3779-61-1 | trans-beta-Ocimene | C10H16 | 136.12520051 | Acorus calamus |
C00002715 | 5273-86-9 | beta-Asarone | C12H16O3 | 208.10994438 | Acorus calamus |
C00002731 | 458-37-7 | Curcumin | C21H20O6 | 368.12598837 | Acorus calamus |
C00002739 | 487-11-6 | Elemicin | C12H16O3 | 208.10994438 | Acorus calamus |
C00002760 | 6379-72-2 | Methylisoeugenol | C11H14O2 | 178.09937969 | Acorus calamus |
C00002902 | 537-42-8 | Pterostilbene | C16H16O3 | 256.10994438 | Acorus calamus |
C00002903 | 501-36-0 | Resveratrol | C14H12O3 | 228.07864425 | Acorus calamus |
C00003028 | 507-70-0 | Borneol | C10H18O | 154.1357652 | Acorus calamus |
C00003029 | 79-92-5 | Camphene | C10H16 | 136.12520051 | Acorus calamus |
C00003035 | 141-27-5 | trans-Citral | C10H16O | 152.12011513 | Acorus calamus |
C00003036 | 106-26-3 | cis-Citral | C10H16O | 152.12011513 | Acorus calamus |
C00003046 | 105-87-3 | Geranyl acetate | C12H20O2 | 196.14632988 | Acorus calamus |
C00003047 | 78-70-6 | linalool | C10H18O | 154.1357652 | Acorus calamus |
C00003110 | 87-44-5 | beta-Caryophyllene | C15H24 | 204.18780077 | Acorus calamus |
C00003112 | 77-53-2 | (+)-Cedrol | C15H26O | 222.19836545 | Acorus calamus |
C00003134 | 15423-57-1 | Germacrene B | C15H24 | 204.18780077 | Acorus calamus |
C00003147 | 6753-98-6 | alpha-Caryophyllene (obsol.) | C15H24 | 204.18780077 | Acorus calamus |
C00003186 | 17066-67-0 | beta-Eudesmene | C15H24 | 204.18780077 | Acorus calamus |
C00003204 | 495-60-3 | alpha-Zingiberene | C15H24 | 204.18780077 | Acorus calamus |
C00003467 | 150-86-7 | Phytol | C20H40O | 296.3079159 | Acorus calamus |
C00007260 | 524-14-1 | Malonyl-CoA | C24H38N7O19P3S | 853.11560229 | Acorus calamus |
C00007453 | 33880-83-0 | beta-Elemene | C15H24 | 204.18780077 | Acorus calamus |
C00007636 | 483-76-1 | delta-Cadinene | C15H24 | 204.18780077 | Acorus calamus |
C00010875 | 586-63-0 | 2,4(8)-p-Menthadiene | C10H16 | 136.12520051 | Acorus calamus |
C00011692 | 53915-39-2 | Isocaespitol | C15H25Br2ClO2 | 429.99098355 | Acorus calamus |
C00011709 | 50281-45-3 | Acoragermacrone | C15H24O | 220.18271539 | Acorus calamus |
C00011714 | 25645-19-6 | Preisocalamendiol | C15H24O | 220.18271539 | Acorus calamus |
C00011720 | 23986-74-5 | (-)-Germacrene D | C15H24 | 204.18780077 | Acorus calamus |
C00012003 | 21698-44-2 | Shyobunon | C15H24O | 220.18271539 | Acorus calamus |
C00012004 | 39020-72-9 | Epishyobunone | C15H24O | 220.18271539 | Acorus calamus |
C00012005 | 639-99-6 | (-)-Elemol | C15H26O | 222.19836545 | Acorus calamus |
C00012007 | 21698-46-4 | Isoshyobunone | C15H24O | 220.18271539 | Acorus calamus |
C00012011 | 20307-84-0 | delta-Elemene | C15H24 | 204.18780077 | Acorus calamus |
C00012425 | 24703-35-3 | (+)-Bicyclogermacrene | C15H24 | 204.18780077 | Acorus calamus |
C00012444 | 19888-34-7 | Humulene 1,2-epoxide | C15H24O | 220.18271539 | Acorus calamus |
C00012483 | 1139-30-6 | (-)-beta-Caryophyllene epoxide | C15H24O | 220.18271539 | Acorus calamus |
C00012708 | 6813-21-4 | Eudesma-3,7(11)-diene | C15H24 | 204.18780077 | Acorus calamus |
C00012802 | 39012-15-2 | Isoacolamone | C15H24O | 220.18271539 | Acorus calamus |
C00012806 | 39012-14-1 | Acolamone | C15H24O | 220.18271539 | Acorus calamus |
C00017471 | 6831-16-9 | (-)-9-Aristolene | C15H24 | 204.18780077 | Acorus calamus |
C00017474 | 25274-27-5 | Aristolone | C15H22O | 218.16706532 | Acorus calamus |
C00020062 | 71609-04-6 | (-)-Cadala-1,4,9-triene | C15H22 | 202.1721507 | Acorus calamus |
C00020064 | 25330-21-6 | Isocalamendiol | C15H26O2 | 238.19328007 | Acorus calamus |
C00020065 | 481-34-5 | (-)-alpha-Cadinol | C15H26O | 222.19836545 | Acorus calamus |
C00020066 | 5937-11-1 | epi-alpha-Cadinol | C15H26O | 222.19836545 | Acorus calamus |
C00020067 | 21391-99-1 | alpha-Calacorene | C15H20 | 200.15650064 | Acorus calamus |
C00020112 | 483-78-3 | Cadalene | C15H18 | 198.14085057 | Acorus calamus |
C00020154 | 19912-62-0 | tau-Muurolol | C15H26O | 222.19836545 | Acorus calamus |
C00020166 | 5957-62-0 | Calacone | C15H24O | 220.18271539 | Acorus calamus |
C00020252 | 28305-60-4 | beta-Oploplenone | C15H24O | 220.18271539 | Acorus calamus |
C00020376 | 88-84-6 | beta-Guaiene | C15H24 | 204.18780077 | Acorus calamus |
C00020383 | 22567-17-5 | (+)-gamma-Gurjunene | C15H24 | 204.18780077 | Acorus calamus |
C00020396 | 71305-96-9 | Calamusenone | C15H22O | 218.16706532 | Acorus calamus |
C00021227 | 489-40-7 | alpha-Gurjunene | C15H24 | 204.18780077 | Acorus calamus |
C00021306 | 64825-84-9 | Oxidohimachalene | C15H22O | 218.16706532 | Acorus calamus |
C00021309 | 3853-83-6 | alpha-Himachalene | C15H24 | 204.18780077 | Acorus calamus |
C00021580 | 28477-64-7 | beta-Acoradiene | C15H24 | 204.18780077 | Acorus calamus |
C00021582 | 24048-44-0 | alpha-Acoradiene | C15H24 | 204.18780077 | Acorus calamus |
C00021585 | 33983-45-8 | Acoronene | C15H22O2 | 234.16197995 | Acorus calamus |
C00021588 | 5956-06-9 | Acoric acid | C15H24O4 | 268.16745925 | Acorus calamus |
C00021720 | 546-28-1 | beta-Cedrene | C15H24 | 204.18780077 | Acorus calamus |
C00021772 | 31145-21-8 | (+)-Prezizaene | C15H24 | 204.18780077 | Acorus calamus |
C00021903 | 13474-59-4 | trans-alpha-Bergamotene | C15H24 | 204.18780077 | Acorus calamus |
C00029339 | 40716-66-3 | (E)-Nerolidol | C15H26O | 222.19836545 | Acorus calamus |
C00029544 | 562-74-3 | 4-Terpineol | C10H18O | 154.1357652 | Acorus calamus |
C00029672 | 473-13-2 | (-)-alpha-Selinene | C15H24 | 204.18780077 | Acorus calamus |
C00029674 | 98-55-5 | alpha-Terpineol | C10H18O | 154.1357652 | Acorus calamus |
C00029844 | 76-49-3 | Borneol acetate | C12H20O2 | 196.14632988 | Acorus calamus |
C00029881 | 17334-55-3 | Calarene | C15H24 | 204.18780077 | Acorus calamus |
C00029961 | 621-82-9 | Cinnamic acid | C9H8O2 | 148.0524295 | Acorus calamus |
C00030480 | 502-69-2 | 6,10,14-Trimethyl-2-pentadecanone | C18H36O | 268.27661577 | Acorus calamus |
C00034456 | 73464-47-8 | beta-Gurjunene | C15H24 | 204.18780077 | Acorus calamus |
C00034496 | 34995-77-2 | trans-Furanoid linalool oxide | C10H18O2 | 170.13067982 | Acorus calamus |
C00034746 | 5989-33-3 | Z-Furanoid linalool oxide | C10H18O2 | 170.13067982 | Acorus calamus |
C00035130 | 1189-09-9 | Methyl geranate | C11H18O2 | 182.13067982 | Acorus calamus |
C00035131 | 93-16-3 | Methyl isoeugenol | C11H14O2 | 178.09937969 | Acorus calamus |
C00035564 | 150-84-5 | Citronellyl acetate | C12H22O2 | 198.16197995 | Acorus calamus |
C00035691 | 2270-60-2 | Methyl citronellate | C11H20O2 | 184.14632988 | Acorus calamus |
C00035798 | 5956-05-8 | Acorenone | C15H24O | 220.18271539 | Acorus calamus |
C00035811 | 79120-98-2 | beta-Funebrene | C15H24 | 204.18780077 | Acorus calamus |
C00035823 | 106-23-0 | Citronellal | C10H18O | 154.1357652 | Acorus calamus |
C00036271 | 515-13-9 | (-)-beta-Elemene | C15H24 | 204.18780077 | Acorus calamus |
C00036456 | 4460-86-0 | 2,4,5-Trimethoxybenzaldehyde | C10H12O4 | 196.07355887 | Acorus calamus |
C00036463 | 3117-03-1 | 2,5-Dimethoxy-p-benzoquinone | C8H8O4 | 168.04225874 | Acorus calamus |
C00036907 | 72937-55-4 | cis-Calamenene | C15H22 | 202.1721507 | Acorus calamus |
C00042219 | 2883-98-9 | alpha-Asarone | C12H16O3 | 208.10994438 | Acorus calamus |
C00042628 | 5353-15-1 | Isoasarone | C12H16O3 | 208.10994438 | Acorus calamus |
C00046607 | 644-30-4 | alpha-Curcumene | C15H22 | 202.1721507 | Acorus calamus |
C00048328 | 50277-34-4 | beta-Calacorene | C15H20 | 200.15650064 | Acorus calamus |
C00050779 | 6380-24-1 | cis-Methyl isoeugenol | C11H24O2 | 188.17763001 | Acorus calamus |
C00050855 | 3904-18-5 | Isoacoramone | C12H16O4 | 224.104859 | Acorus calamus |
C00050998 | 510-42-9 | Isosinomenine | C19H23NO4 | 329.16270823 | Acorus calamus |
C00053072 | 372162-07-7 | cis-beta-Guaiene | C15H24 | 204.18780077 | Acorus calamus |
C00053689 | 42438-89-1 | Pinostilbene | C15H14O3 | 242.09429431 | Acorus calamus |
C00053846 | 192053-49-9 | trans-beta-Guaiene | C15H24 | 204.18780077 | Acorus calamus |
C00054659 | 185307-44-2 | Acorusdiol | C15H24O3 | 252.17254463 | Acorus calamus |
C00054853 | 80434-33-9 | Diasarone 2 | C24H32O6 | 416.21988875 | Acorus calamus |
C00054957 | 10121-28-5 | 3,8-Acoranedione | C15H24O2 | 236.17763001 | Acorus calamus |
C00054973 | 151986-17-3 | 1'-Acetoxychavicol. | C11H12O3 | 192.07864425 | Acorus calamus |
C00055017 | 62311-70-0 | Acorusnol | C15H24O2 | 236.17763001 | Acorus calamus |
C00055100 | 2020-90-8 | Acoramone | C12H16O4 | 224.104859 | Acorus calamus |
C00055381 | 934015-69-7 | Acarafuran | C15H18O | 214.1357652 | Acorus calamus |
C00055488 | 156158-90-6 | Calamenone | C15H24O2 | 236.17763001 | Acorus calamus |
C00057852 | 133005-43-3 | 3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-diene | C15H24 | 204.18780077 | Acorus calamus |
C00058004 | 2020-84-0 | 1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione | C12H14O5 | 238.08412356 | Acorus calamus |
C00058064 | 286957-96-8 | Tatarine A | C17H13NO3 | 279.08954329 | Acorus calamus |
C00058065 | 286957-98-0 | Tatarine C | C15H20N2O6 | 324.13213639 | Acorus calamus |
C00058133 | 54878-25-0 | 1(10),11-Spirovetivadien-2-one | C15H20O | 216.15141526 | Acorus calamus |
C00059183 | 110823-68-2 | 2,4-Diisopropenyl-1-methyl-1-vinyl-cyclohexane | C15H24 | 204.18780077 | Acorus calamus |
C00059601 | 129927-17-9 | 8-Methyl-2-methylidene-5-(propan-2-yl)cyclodeca-3,7-dien-1-ol | C15H24O | 220.18271539 | Acorus calamus |
C00061085 | 25249-93-8 | Octahydro-8a-hydroxy-8-isopropyl-5-methylene-2(1H)-naphthalenone | C14H22O2 | 222.16197995 | Acorus calamus |
C00061086 | 25249-94-9 | Octahydro-8a-hydroxy-8-isopropyl-5-methyl-2(1H)-naphthalenone | C14H24O2 | 224.17763001 | Acorus calamus |
C00061087 | 25249-96-1 | 4betaH-Cadin-10(15)-en-6-ol | C15H26O | 222.19836545 | Acorus calamus |
C00061088 | 25249-97-2 | 3,4,4a,5,6,7,8,8aalpha-Octahydro-4abeta-hydroxy-4-isopropyl-6beta-methyl-1(2H)-naphthalenone | C14H24O2 | 224.17763001 | Acorus calamus |
C00061098 | 25330-22-7 | Cadin-10(15)-en-6-ol | C15H26O | 222.19836545 | Acorus calamus |
C00061313 | 295-65-8 | Cyclohexadecane | C16H32 | 224.25040102 | Acorus calamus |
C00061318 | 296-18-4 | Cyclooctadecane | C18H36 | 252.28170115 | Acorus calamus |
C00061348 | 30167-28-3 | Calameone | C15H26O2 | 238.19328007 | Acorus calamus |
C00061503 | 34143-95-8 | 9-Aristolen-1,alpha-ol | C15H24O | 220.18271539 | Acorus calamus |
C00061579 | 35727-47-0 | (4aalpha,5alpha,8beta,8abeta)-Octahydro-5,8a-dihydroxy-5-methyl-8-(1-methylethyl)-2(1H)-naphthalenone | C14H24O3 | 240.17254463 | Acorus calamus |
C00061580 | 35727-49-2 | (1alpha,4beta,4abeta,6alpha,8aalpha)-Octahydro-1,6-dimethyl-4-(1-methylethyl)-1,4a(2H)-naphthalenediol | C15H28O2 | 240.20893014 | Acorus calamus |
C00061581 | 35727-50-5 | (1alpha,4beta,4abeta,6beta,8aalpha)-Octahydro-1,6-dimethyl-4-(1-methylethyl)-1,4a(2H)-naphthalenediol | C15H28O2 | 240.20893014 | Acorus calamus |
C00061582 | 35727-54-9 | (1alpha,4alpha,4aalpha,6alpha,8abeta)-Octahydro-1,6-dimethyl-4-(1-methylethyl)-1,4a(2H)-naphthalenediol | C15H28O2 | 240.20893014 | Acorus calamus |
C00061583 | 35727-55-0 | (4aalpha,5beta,8beta,8abeta)-Octahydro-5,8a-dihydroxy-5-methyl-8-(1-methylethyl)-2(1H)-naphthalenone | C14H24O3 | 240.17254463 | Acorus calamus |
C00061584 | 35727-56-1 | 4,6,7,8-Tetrahydro-5-methyl-8-(1-methylethyl)-2(3H)-naphthalenone | C14H20O | 204.15141526 | Acorus calamus |
C00061585 | 35727-57-2 | (2alpha,4abeta,8alpha,8aalpha)-Octahydro-2-methyl-5-methylene-8-(1-methylethyl)-2,8a(1H)-naphthalenediol | C15H26O2 | 238.19328007 | Acorus calamus |
C00061591 | 35821-07-9 | (4alpha,4aalpha,8abeta)-Octahydro-1,6-bis(methylene)-4-(1-methylethyl)-4a(2H)-naphthalenol | C15H24O | 220.18271539 | Acorus calamus |
C00061592 | 35821-08-0 | (1alpha,4alpha,4aalpha,6beta,8abeta)-Octahydro-1,6-dimethyl-4-(1-methylethyl)-1,4a(2H)-naphthalenediol | C15H28O2 | 240.20893014 | Acorus calamus |
C00061644 | 374901-54-9 | (1R,4R,5R)-1,8-Dimethyl-4-(1-methylethyl)spiro[4.5]dec-8-en-7-one | C15H24O | 220.18271539 | Acorus calamus |
C00061673 | 38599-17-6 | (S)-gamma-Calacorene | C15H20 | 200.15650064 | Acorus calamus |
C00061868 | 4726-45-8 | 4,4a,5,6,7,8-Hexahydro-5-methyl-8-(1-methylethyl)-2(3H)-naphthalenone | C14H22O | 206.16706532 | Acorus calamus |
C00062070 | 5273-84-7 | (Z)-Isoelemicin | C13H15N5O4 | 305.112404 | Acorus calamus |
C00062628 | 6617-63-6 | Tetrahydroshyobunone | C15H28O | 224.21401552 | Acorus calamus |
C00062899 | 74924-06-4 | rel-(1R,2R,3R,6R)-3-Ethenyl-3-methyl-2-(1-methylethenyl)-6-(1-methylethyl)cyclohexanol | C15H26O | 222.19836545 | Acorus calamus |
C00063193 | 86-81-7 | 3,4,5-Trimethoxy benzaldehyde | C10H12O4 | 196.07355887 | Acorus calamus |