| C_ID |
CAS ID |
Metabolite |
Molecular formula |
Mw | Organism |
| C00000136 | 470-82-6 | 1,8-Cineol | C10H18O | 154.1357652 | Chamaemelum nobile |
| C00000149 | 6750-60-3 | Espatulenol | C15H24O | 220.18271539 | Chamaemelum nobile |
| C00000156 | 499-75-2 | Carvacrol | C10H14O | 150.10446507 | Chamaemelum nobile |
| C00000163 | 473-16-5 | alpha-Eudesmol | C15H26O | 222.19836545 | Chamaemelum nobile |
| C00000184 | 2867-05-2 | alpha-Thujene | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00000619 | 97-53-0 | Eugenol | C10H12O2 | 164.08372963 | Chamaemelum nobile |
| C00000674 | 491-70-3 | 5,7,3',4'-Tetrahydroxyflavone | C15H10O6 | 286.04773805 | Chamaemelum nobile |
| C00000805 | 80-56-8 | alpha-Pinene | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00000816 | 127-91-3 | beta-Pinene | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00000819 | 76-22-2 | (+)-Camphor | C10H16O | 152.12011513 | Chamaemelum nobile |
| C00000830 | 15537-55-0 | cis-Sabinene hydrate | C10H18O | 154.1357652 | Chamaemelum nobile |
| C00000843 | 3338-55-4 | cis-beta-Ocimene | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00000846 | 763-10-0 | Geranyl diphospate | C10H20O7P2 | 314.06842597 | Chamaemelum nobile |
| C00000848 | 358-71-4 | Isopentenyl diphosphate | C5H12O7P2 | 246.00582572 | Chamaemelum nobile |
| C00000853 | 123-35-3 | beta-Myrcene | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00000862 | 3779-61-1 | trans-beta-Ocimene | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00000907 | 13058-04-3 | Farnesyl pyrophosphate | C15H28O7P2 | 382.13102623 | Chamaemelum nobile |
| C00000908 | 6699-20-3 | Geranylgeranyl diphosphate | C20H36O7P2 | 450.19362648 | Chamaemelum nobile |
| C00000911 | 502-65-8 | Lycopene | C40H56 | 536.43820179 | Chamaemelum nobile |
| C00000919 | 7235-40-7 | beta-Carotene | C40H56 | 536.43820179 | Chamaemelum nobile |
| C00001017 | 578-74-5 | Apigenin 7-O-beta-D-glucopyranoside | C21H20O10 | 432.10564686 | Chamaemelum nobile |
| C00001019 | 26544-34-3 | Apiin | C26H28O14 | 564.14790561 | Chamaemelum nobile |
| C00001152 | 99-20-7 | Trehalose | C12H22O11 | 342.11621155 | Chamaemelum nobile |
| C00001195 | 150-97-0 | Mevalonic acid | C6H12O4 | 148.07355887 | Chamaemelum nobile |
| C00001255 | 506-52-5 | Hexacosan-1-ol | C26H54O | 382.41746634 | Chamaemelum nobile |
| C00002499 | 92-61-5 | Scopoletin | C10H8O4 | 192.04225874 | Chamaemelum nobile |
| C00002668 | 99-50-3 | 3,4-Dihydroxybenzoic acid | C7H6O4 | 154.02660868 | Chamaemelum nobile |
| C00002724 | 327-97-9 | 3-O-Caffeoylquinic acid | C16H18O9 | 354.09508217 | Chamaemelum nobile |
| C00003028 | 507-70-0 | Borneol | C10H18O | 154.1357652 | Chamaemelum nobile |
| C00003047 | 78-70-6 | (+-)-Linalool | C10H18O | 154.1357652 | Chamaemelum nobile |
| C00003051 | 99-83-2 | alpha-Phellandrene | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00003054 | 89-81-6 | Piperitone | C10H16O | 152.12011513 | Chamaemelum nobile |
| C00003060 | 99-86-5 | alpha-Terpinene | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00003110 | 87-44-5 | beta-Caryophyllene | C15H24 | 204.18780077 | Chamaemelum nobile |
| C00003114 | 529-05-5 | Camazulene | C14H16 | 184.12520051 | Chamaemelum nobile |
| C00003120 | 17699-14-8 | alpha-Cubebene | C15H24 | 204.18780077 | Chamaemelum nobile |
| C00003134 | 15423-57-1 | Germacrene B | C15H24 | 204.18780077 | Chamaemelum nobile |
| C00003147 | 6753-98-6 | alpha-Caryophyllene (obsol.) | C15H24 | 204.18780077 | Chamaemelum nobile |
| C00003339 | 31824-11-0 | Nobilin | C20H26O5 | 346.17802394 | Chamaemelum nobile |
| C00003672 | 83-46-5 | (-)-beta-Sitosterol | C29H50O | 414.38616622 | Chamaemelum nobile |
| C00003817 | 520-36-5 | Apigenin | C15H10O5 | 270.05282343 | Chamaemelum nobile |
| C00004266 | 5373-11-5 | Cinaroside | C21H20O11 | 448.10056148 | Chamaemelum nobile |
| C00004565 | 520-18-3 | Kaempferol | C15H10O6 | 286.04773805 | Chamaemelum nobile |
| C00005376 | 22688-79-5 | Miquelianin | C21H18O13 | 478.07474066 | Chamaemelum nobile |
| C00005729 | 19833-12-6 | Isomyricitrin | C21H20O13 | 480.09039073 | Chamaemelum nobile |
| C00006229 | 23666-13-9 | Vicenin | C27H30O15 | 594.15847029 | Chamaemelum nobile |
| C00007247 | 463-40-1 | alpha-Linolenic acid | C18H30O2 | 278.2245802 | Chamaemelum nobile |
| C00007259 | 72-89-9 | Acetyl-CoA | C23H38N7O17P3S | 809.12577304 | Chamaemelum nobile |
| C00007269 | 1420-36-6 | Acetoacetyl-CoA | C25H40N7O18P3S | 851.13633773 | Chamaemelum nobile |
| C00007270 | 1553-55-5 | HMG-CoA | C27H44N7O20P3S | 911.1574671 | Chamaemelum nobile |
| C00007292 | 190079-18-6 | DXP | C5H11O7P | 214.0242392 | Chamaemelum nobile |
| C00007297 | 206440-72-4 | 2-C-Methyl-D-erythritol 4-phosphate | C5H13O7P | 216.03988926 | Chamaemelum nobile |
| C00007304 | 1189-94-2 | Mevalonate 5-phosphate | C6H13O7P | 228.03988926 | Chamaemelum nobile |
| C00007363 | 119-13-1 | delta-Tocopherol | C27H46O2 | 402.34978071 | Chamaemelum nobile |
| C00007364 | 148-03-8 | beta-Tocopherol | C28H48O2 | 416.36543078 | Chamaemelum nobile |
| C00007366 | 59-02-9 | alpha-Tocopherol | C29H50O2 | 430.38108084 | Chamaemelum nobile |
| C00007423 | 1002-84-2 | Pentadecanoic acid | C15H30O2 | 242.2245802 | Chamaemelum nobile |
| C00007564 | 591-57-1 | D-Glyceraldehyde 3-phosphate | C3H7O6P | 169.99802445 | Chamaemelum nobile |
| C00007615 | | Mevalonate 5-diphosphate | C6H14O10P2 | 308.00621965 | Chamaemelum nobile |
| C00007620 | | 4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol | C14H25N3O14P2 | 521.08117551 | Chamaemelum nobile |
| C00007621 | | 2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol | C14H26N3O17P3 | 601.0475059 | Chamaemelum nobile |
| C00007636 | 483-76-1 | delta-Cadinene | C15H24 | 204.18780077 | Chamaemelum nobile |
| C00010329 | 80445-58-5 | Lepalone | C10H12O2 | 164.08372963 | Chamaemelum nobile |
| C00010858 | 10133-50-3 | 4-Isopropenylbenzaldehyde | C10H10O | 146.07316494 | Chamaemelum nobile |
| C00010872 | 555-10-2 | beta-Phellandrene | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00011067 | 508-32-7 | Teresantanane | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00011720 | 23986-74-5 | (-)-Germacrene D | C15H24 | 204.18780077 | Chamaemelum nobile |
| C00011798 | 63569-11-9 | 3-Epinobilin | C20H26O5 | 346.17802394 | Chamaemelum nobile |
| C00011800 | 63529-14-6 | 3-Dehydronobilin | C20H24O5 | 344.16237388 | Chamaemelum nobile |
| C00011949 | 79862-34-3 | (+-)-5-(1-Methylethyl)-2-(2-methylpropyl)-2-cyclohexen-1-one | C13H22O | 194.16706532 | Chamaemelum nobile |
| C00011950 | 79862-14-9 | 5-(1-Methylethyl)-2-propyl-2-cyclohexen-1-one | C12H20O | 180.15141526 | Chamaemelum nobile |
| C00012005 | 639-99-6 | (-)-Elemol | C15H26O | 222.19836545 | Chamaemelum nobile |
| C00012791 | 97094-19-4 | Corymbolone | C15H24O2 | 236.17763001 | Chamaemelum nobile |
| C00012811 | 118173-08-3 | Selin-6-en-4alpha-ol | C15H26O | 222.19836545 | Chamaemelum nobile |
| C00013617 | 173356-77-9 | Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside] | C27H28O14 | 576.14790561 | Chamaemelum nobile |
| C00020065 | 481-34-5 | (-)-alpha-Cadinol | C15H26O | 222.19836545 | Chamaemelum nobile |
| C00020154 | 19912-62-0 | tau-Muurolol | C15H26O | 222.19836545 | Chamaemelum nobile |
| C00021272 | 23445-02-5 | Cubebol | C15H26O | 222.19836545 | Chamaemelum nobile |
| C00029336 | 3796-70-1 | (E)-Geranyl acetone | C13H22O | 194.16706532 | Chamaemelum nobile |
| C00029350 | 28973-97-9 | cis-beta-Farnesene | C15H24 | 204.18780077 | Chamaemelum nobile |
| C00029455 | 6175-49-1 | 2-Dodecanone | C12H24O | 184.18271539 | Chamaemelum nobile |
| C00029470 | 54-28-4 | 2R,4'R,8'R-gamma-Tocopherol | C28H48O2 | 416.36543078 | Chamaemelum nobile |
| C00029480 | 89886-31-7 | 3,4-di-O-caffeoylquinic acid | C25H24O12 | 516.12677623 | Chamaemelum nobile |
| C00029544 | 562-74-3 | 4-Terpineol | C10H18O | 154.1357652 | Chamaemelum nobile |
| C00029671 | 10208-80-7 | alpha-Muurolene | C15H24 | 204.18780077 | Chamaemelum nobile |
| C00029674 | 98-55-5 | alpha-Terpineol | C10H18O | 154.1357652 | Chamaemelum nobile |
| C00029679 | 515-69-5 | alpha-Bisabolol | C15H26O | 222.19836545 | Chamaemelum nobile |
| C00029881 | 17334-55-3 | Calarene | C15H24 | 204.18780077 | Chamaemelum nobile |
| C00029918 | 77-54-3 | Cedryl acetate | C17H28O2 | 264.20893014 | Chamaemelum nobile |
| C00029974 | 3310-02-9 | cis-Sabinol | C10H16O | 152.12011513 | Chamaemelum nobile |
| C00030755 | 112-39-0 | Methyl hexadecanoate | C17H34O2 | 270.25588033 | Chamaemelum nobile |
| C00030803 | 564-94-3 | Myrtenal | C10H14O | 150.10446507 | Chamaemelum nobile |
| C00030807 | 906-33-2 | 5-Caffeoylquinic acid | C16H18O9 | 354.09508217 | Chamaemelum nobile |
| C00030829 | 112-05-0 | Nonanoic acid | C9H18O2 | 158.13067982 | Chamaemelum nobile |
| C00030959 | 2765-11-9 | Pentadecanal | C15H30O | 226.22966558 | Chamaemelum nobile |
| C00031258 | 3387-41-5 | 4(10)-Thujene | C10H16 | 136.12520051 | Chamaemelum nobile |
| C00031471 | 4128-17-0 | (E,E)-Farnesyl acetate | C17H28O2 | 264.20893014 | Chamaemelum nobile |
| C00033559 | 89919-62-0 | 3,5-Caffeoyl quinic acid | C25H24O12 | 516.12677623 | Chamaemelum nobile |
| C00034185 | 36413-60-2 | Quinic acid | C7H12O6 | 192.06338812 | Chamaemelum nobile |
| C00034496 | 34995-77-2 | trans-Furanoid linalool oxide | C10H18O2 | 170.13067982 | Chamaemelum nobile |
| C00035092 | 106-28-5 | trans-Farnesol | C15H26O | 222.19836545 | Chamaemelum nobile |
| C00035536 | 23726-93-4 | beta-Damascenone | C13H18O | 190.1357652 | Chamaemelum nobile |
| C00037652 | 30460-92-5 | Pinocarvone | C10H14O | 150.10446507 | Chamaemelum nobile |
| C00042579 | 629-90-3 | Heptadecanal | C17H34O | 254.26096571 | Chamaemelum nobile |
| C00048560 | 10486-19-8 | Tridecanal | C13H26O | 198.19836545 | Chamaemelum nobile |
| C00051443 | 6915-15-7 | Malic acid | C4H6O5 | 134.0215233 | Chamaemelum nobile |
| C00052035 | | DMAPP | C5H12O7P2 | 246.00582572 | Chamaemelum nobile |
| C00052039 | | IPP | C5H12O7P2 | 246.00582572 | Chamaemelum nobile |
| C00052473 | 473-11-0 | (+)-beta-selinene | C15H28 | 208.21910089 | Chamaemelum nobile |
| C00052509 | 85263-73-6 | 9,17-Octadecadienal | C18H32O | 264.24531564 | Chamaemelum nobile |
| C00052703 | 1246777-02-5 | 4,5-Dehydroisolongifolene | C15H22 | 202.1721507 | Chamaemelum nobile |
| C00052787 | 2462-85-3 | 9,12-Octadecadienoic acid, methyl ester | C19H34O2 | 294.25588033 | Chamaemelum nobile |
| C00053328 | 915392-38-0 | Humulane-1,6-dien-3-ol | C15H26O | 222.19836545 | Chamaemelum nobile |
| C00054704 | 217448-58-3 | Angeloyl angelate | C10H16O2 | 168.11502975 | Chamaemelum nobile |
| C00055632 | 120-50-3 | 2-methylpropyl benzoate | C11H14O2 | 178.09937969 | Chamaemelum nobile |
| C00055836 | 19903-73-2 | epi-Cedrol | C15H26O | 222.19836545 | Chamaemelum nobile |
| C00055857 | 67996-61-6 | gamma-Eudesmol acetate | C17H28O2 | 264.20893014 | Chamaemelum nobile |
| C00056360 | 103-48-0 | 2-Phenylethyl 2-methylpropanoate | C12H16O2 | 192.11502975 | Chamaemelum nobile |
| C00056663 | 122-70-3 | 2-Phenylethyl propionate | C11H14O2 | 178.09937969 | Chamaemelum nobile |
| C00058960 | 103-58-2 | 3-Phenylpropyl isobutyrate | C13H18O2 | 206.13067982 | Chamaemelum nobile |
| C00059799 | 138530-44-6 | Myrtenyl-2-methylbutyrate | C15H24O2 | 236.17763001 | Chamaemelum nobile |
| C00059800 | 138530-45-7 | (Z)-2-Methyl-2-butenoic acid, (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ester | C15H22O2 | 234.16197995 | Chamaemelum nobile |
| C00060042 | 150035-89-5 | 1,3,5-O-Tricaffeoylquinic acid | C34H30O15 | 678.15847029 | Chamaemelum nobile |
| C00060217 | 1622080-31-2 | 1,10-Epoxynobilin | C20H26O6 | 362.17293856 | Chamaemelum nobile |
| C00060964 | 2345-26-8 | Geranyl isobutyrate | C14H24O2 | 224.17763001 | Chamaemelum nobile |
| C00061292 | 29021-37-2 | Myrtenyl isobutyrate | C14H22O2 | 222.16197995 | Chamaemelum nobile |
| C00061492 | 33900-84-4 | Myrtenyl isovalerate | C15H24O2 | 236.17763001 | Chamaemelum nobile |
| C00061645 | 37526-87-7 | Benzyl angelate | C12H14O2 | 190.09937969 | Chamaemelum nobile |
| C00061657 | 3792-53-8 | cis-Dihydrocarvone | C10H16O | 152.12011513 | Chamaemelum nobile |
| C00062452 | 616-55-7 | 2,4-Di-tert-butyl-6-methylphenol | C15H24O | 220.18271539 | Chamaemelum nobile |
| C00063043 | 80445-59-6 | (E)-1-(2,6-Dimethylphenyl)-2-buten-1-one | C12H14O | 174.10446507 | Chamaemelum nobile |
| C00063044 | 80445-60-9 | 3-(2-Methylbutyl)-5-(1-methylethyl)-2-cyclohexen-1-one | C14H24O | 208.18271539 | Chamaemelum nobile |
| C00063045 | 80500-85-2 | (Z)-2-Methyl-2-butenoic acid, 2-methyl-3-(2-methyl-1-oxopropoxy)propyl ester | C13H22O4 | 242.15180919 | Chamaemelum nobile |
| C00063046 | 80500-86-3 | (Z)-2-Methyl-2-butenoic acid, 2-[(2-methyl-1-oxopropoxy)methyl]-2-propenyl ester | C13H20O4 | 240.13615913 | Chamaemelum nobile |