C_ID |
CAS ID |
Metabolite |
Molecular formula |
Mw | Organism or InChIKey etc. |
C00000105 | 30536-48-2 | Caulilexin C | C11H10N2O | 186.07931296 | Brassica rapa |
C00000107 | 771-51-7 | Indole-3-acetonitrile | C10H8N2 | 156.06874827 | Brassica rapa |
C00000125 | 4356-52-9 | Glucobrassicin | C16H20N2O9S2 | 448.06102171 | Brassica rapa |
C00000126 | 5187-84-8 | Neoglucobrassicin | C17H22N2O10S2 | 478.0715864 | Brassica rapa |
C00000127 | 83327-20-2 | 4-Hydroxyglucobrassicin | C16H20N2O10S2 | 464.05593634 | Brassica rapa |
C00000128 | 83327-21-3 | 4-Methoxyglucobrassicin | C17H22N2O10S2 | 478.0715864 | Brassica rapa |
C00000218 | 6894-38-8 | (-)-Jasmonic acid | C12H18O3 | 210.12559444 | Brassica rapa |
C00000219 | 1211-29-6 | Methyl jasmonate | C13H20O3 | 224.1412445 | Brassica rapa |
C00000356 | 928-96-1 | cis-3-Hexen-1-ol | C6H12O | 100.08881501 | Brassica rapa |
C00000823 | 138-86-3 | Limonene | C10H16 | 136.12520051 | Brassica rapa |
C00000905 | 13920-14-4 | 15,15'-cis-Phytoene | C40H64 | 544.50080204 | Brassica rapa ssp. chinensis |
C00000908 | 6699-20-3 | Geranylgeranyl diphosphate | C20H36O7P2 | 450.19362648 | Brassica rapa ssp. chinensis |
C00000911 | 502-65-8 | Lycopene | C40H56 | 536.43820179 | Brassica rapa ssp. chinensis |
C00000919 | 7235-40-7 | beta-Carotene | C40H56 | 536.43820179 | Brassica rapa ssp. chinensis |
C00000931 | 144-68-3 | Zeaxanthin | C40H56O2 | 568.42803103 | Brassica rapa ssp. chinensis |
C00001255 | 506-52-5 | Hexacosan-1-ol | C26H54O | 382.41746634 | Brassica rapa |
C00001269 | 593-50-0 | 1-Triacontanol | C30H62O | 438.4800666 | Brassica rapa |
C00001463 | 19041-10-2 | Glucobrassicanapin | C12H21NO9S2 | 387.06577274 | Brassica rapa |
C00001468 | 499-24-1 | Glucocochlearin | C11H21NO9S2 | 375.06577274 | Brassica rapa |
C00001473 | 26888-03-9 | Glucoiberverin | C11H21NO9S3 | 407.03784347 | Brassica rapa |
C00001477 | 19764-03-5 | Gluconapoleiferin | C12H21NO10S2 | 403.06068736 | Brassica rapa |
C00001486 | 585-95-5 | Progoitrin | C11H19NO10S2 | 389.0450373 | Brassica rapa |
C00001488 | 3952-98-5 | Sinigrin | C10H17NO9S2 | 359.03447261 | Brassica rapa |
C00001546 | 105748-60-5 | Methoxybrassinin | C12H14N2OS2 | 266.05475454 | Brassica rapa |
C00002636 | 123-11-5 | Anisaldehyde | C8H8O2 | 136.0524295 | Brassica rapa |
C00002663 | 60-12-8 | 2-Phenylethanol | C8H10O | 122.07316494 | Brassica rapa |
C00003130 | 502-61-4 | alpha-Farnesene | C15H24 | 204.18780077 | Brassica rapa |
C00003646 | 474-67-9 | Brassicasterol | C28H46O | 398.35486609 | Brassica rapa L. |
C00003647 | 474-62-4 | Campesterol | C28H48O | 400.37051615 | Brassica rapa L. |
C00003648 | 57-88-5 | Cholesterol | C27H46O | 386.35486609 | Brassica rapa |
C00003672 | 83-46-5 | (-)-beta-Sitosterol | C29H50O | 414.38616622 | Brassica rapa |
C00003674 | 83-48-7 | beta-Stigmasterol | C29H48O | 412.37051615 | Brassica rapa |
C00003737 | 638-95-9 | alpha-Amyrin | C30H50O | 426.38616622 | Brassica rapa |
C00003760 | 640-03-9 | Antheraxanthin | C40H56O3 | 584.42294565 | Brassica rapa |
C00003765 | 7488-99-5 | alpha-Carotene | C40H56 | 536.43820179 | Brassica rapa ssp. chinensis |
C00003776 | 127-40-2 | Lutein | C40H56O2 | 568.42803103 | Brassica rapa ssp. chinensis |
C00003780 | 14660-91-4 | Neoxanthin | C40H56O4 | 600.41786028 | Brassica rapa ssp. chinensis |
C00003787 | 126-29-4 | Violaxanthin | C40H56O4 | 600.41786028 | Brassica rapa ssp. chinensis |
C00005229 | 55136-76-0 | Kaempferol 3-O-sophoroside 7-O-beta-D-glucopyranoside:Kaempferol 3-sophoroside-7-glucoside | C33H40O21 | 772.20620834 | Brassica rapa |
C00005427 | 6892-74-6 | Quercetin 3,7-O-beta-diglucopyranoside | C27H30O17 | 626.14829954 | Brassica rapa |
C00005464 | 42903-93-5 | Quercetin 3-sophoroside-7-glucoside | C33H40O22 | 788.20112297 | Brassica rapa |
C00005556 | 6758-51-6 | Isorhamnetin 3,7-di-O-beta-glucopyranoside | C28H32O17 | 640.1639496 | Brassica rapa |
C00005912 | 151649-64-8 | Kaempferol 3-(2'''-(E)-p-coumarylsophoroside)-7-glucoside | C42H46O23 | 918.24298778 | Brassica rapa |
C00005913 | 151649-65-9 | Kaempferol 3-(2'''-(E)-caffeylsophoroside)-7-glucoside | C42H46O24 | 934.2379024 | Brassica rapa |
C00005914 | 151649-63-7 | Kaempferol 3-[2'''-(E)-ferulylsophoroside]-7-glucoside | C43H48O24 | 948.25355247 | Brassica rapa |
C00005916 | 82540-86-1,112294-86-7 | Kaempferol 3-(2'''-sinapylsophoroside)-7-glucoside | C44H50O25 | 978.26411715 | Brassica rapa |
C00005995 | 162556-36-7 | Quercetin 3-p-coumarylsophoroside-7-glucoside | C42H46O24 | 934.2379024 | Brassica rapa |
C00005996 | 151649-67-1 | Quercetin 3-(2'''-(E)-caffeylsophoroside]-7-glucoside | C42H46O25 | 950.23281702 | Brassica rapa |
C00005997 | 151649-66-0 | Quercetin 3-[2'''-(E)-feruloylsophoroside]-7-glucoside | C43H48O25 | 964.24846709 | Brassica rapa |
C00007247 | 463-40-1 | alpha-Linolenic acid | C18H30O2 | 278.2245802 | Brassica rapa |
C00007329 | 4837-74-5 | Arvelexin | C11H10N2O | 186.07931296 | Brassica rapa |
C00007343 | 27303-31-7 | Glucoiberin | C11H21NO10S3 | 423.03275809 | Brassica rapa |
C00007344 | 21973-56-8 | Glucoerucin | C12H23NO9S3 | 421.05349353 | Brassica rapa |
C00007345 | 499-37-6 | 5-Methylsulfinylpentyl glucosinolate | C13H25NO10S3 | 451.06405822 | Brassica rapa |
C00007350 | 499-30-9 | 2-Phenylethylglucosinolate | C15H21NO9S2 | 423.06577274 | Brassica rapa |
C00007363 | 119-13-1 | delta-Tocopherol | C27H46O2 | 402.34978071 | Brassica rapa |
C00007364 | 148-03-8 | beta-Tocopherol | C28H48O2 | 416.36543078 | Brassica rapa |
C00007366 | 59-02-9 | alpha-Tocopherol | C29H50O2 | 430.38108084 | Brassica rapa |
C00007528 | 82373-95-3 | 28-Homobrassinolide | C29H50O6 | 494.36073933 | Brassica rapa ssp. Pekinensis |
C00007535 | 122-78-1 | Benzeneacetaldehyde | C8H8O | 120.05751488 | Brassica rapa |
C00007545 | 21414-41-5 | Glucoraphanin | C12H23NO10S3 | 437.04840815 | Brassica rapa |
C00007586 | 19041-09-9 | Gluconapin | C11H19NO9S2 | 373.05012267 | Brassica rapa |
C00007864 | 19237-18-4 | Epiprogoitrin | C11H19NO10S2 | 389.0450373 | Brassica rapa |
C00019674 | 58-96-8 | Uridine | C9H12N2O6 | 244.06953613 | Brassica rapa |
C00026588 | 722455-60-9 | Rutalexin | C11H8N2O2S | 232.03064824 | Brassica rapa |
C00026995 | 113866-40-3 | S-(-)-Spirobrassinin | C11H10N2OS2 | 250.02345442 | Brassica rapa |
C00027106 | 105748-59-2 | Brassinin | C11H12N2S2 | 236.04418986 | Brassica rapa |
C00027107 | 113866-44-7 | Brassicanal A | C10H9NOS | 191.04048465 | Brassica rapa |
C00027108 | 119752-76-0 | Brassilexin | C9H6N2S | 174.02516894 | Brassica rapa |
C00029329 | 54835-70-0 | (6S,9R)-Roseoside | C19H30O8 | 386.19406794 | Brassica rapa |
C00029470 | 54-28-4 | 2R,4'R,8'R-gamma-Tocopherol | C28H48O2 | 416.36543078 | Brassica rapa |
C00029980 | 120330-44-1 | Citroside A | C19H30O8 | 386.19406794 | Brassica rapa |
C00030099 | 112-31-2 | Decanal | C10H20O | 156.15141526 | Brassica rapa |
C00030767 | 119-36-8 | Methyl salicylate | C8H8O3 | 152.04734412 | Brassica rapa |
C00031273 | 90-02-8 | Salicylaldehyde | C7H6O2 | 122.03677944 | Brassica rapa |
C00031274 | 10338-51-9 | Rhodioloside | C14H20O7 | 300.12090299 | Brassica rapa |
C00032376 | 13080-39-2 | trans-p-Coumaroyl beta-D-glucopyranoside | C15H18O8 | 326.10016755 | Brassica rapa |
C00033745 | 105748-58-1 | Cyclobrassinin | C11H10N2S2 | 234.02853979 | Brassica rapa |
C00034054 | 93-58-3 | Methyl benzoate | C8H8O2 | 136.0524295 | Brassica rapa |
C00034193 | 929083-72-7 | Rapalexin A | C10H8N2OS | 204.03573362 | Brassica rapa |
C00034194 | 929083-73-8 | Rapalexin B | C10H8N2O2S | 220.03064824 | Brassica rapa |
C00034311 | 506-51-4 | Tetracosanol | C24H50O | 354.38616622 | Brassica rapa |
C00034452 | 100-52-7 | Benzaldehyde | C7H6O | 106.04186481 | Brassica rapa |
C00034600 | 134-20-3 | Methyl anthranilate | C8H9NO2 | 151.06332854 | Brassica rapa |
C00034922 | 113900-63-3 | 1-Methoxybrassitin | C12H14N2O2S | 250.07759844 | Brassica rapa |
C00035044 | 1721-51-3 | alpha-Tocotrienol | C29H44O2 | 424.33413065 | Brassica rapa |
C00035077 | 25612-59-3 | delta-Tocotrienol | C27H40O2 | 396.30283052 | Brassica rapa |
C00035101 | 14101-61-2 | gamma-Tocotrienol | C28H42O2 | 410.31848058 | Brassica rapa |
C00036583 | 129602-03-5 | 4-Methoxybrassinin | C12H14N2OS2 | 266.05475454 | Brassica rapa |
C00036837 | 126654-63-5 | 2,3-Dihydro-3-hydroxy-3-methylthiazolo[3,2-a]indole-9-carboxaldehyde | C12H11NO2S | 233.05104933 | Brassica rapa |
C00037931 | 64625-37-2 | trans-p-Feruloyl beta-D-glucopyranoside | C16H20O9 | 356.11073224 | Brassica rapa |
C00042440 | 65-46-3 | Cytidine | C9H13N3O5 | 243.08552055 | Brassica rapa |
C00048964 | 3681-71-8 | cis-3-Hexenyl acetate | C8H14O2 | 142.09937969 | Brassica rapa |
C00052035 | | DMAPP | C5H12O7P2 | 246.00582572 | Brassica rapa ssp. chinensis |
C00052039 | | IPP | C5H12O7P2 | 246.00582572 | Brassica rapa ssp. chinensis |
C00052675 | 3386-97-8 | 1-Butene-4-isothiocyanate | C5H7NS | 113.02991996 | Brassica rapa |
C00052868 | 140-29-4 | Benzeneacetonitrile | C8H7N | 117.05784923 | Brassica rapa |
C00053173 | 92280-20-1 | Feruloylmalic acid | C14H14O8 | 310.06886743 | Brassica rapa |
C00053636 | 92280-19-8 | p-Coumaroyl-malic acid | C13H12O7 | 280.05830274 | Brassica rapa |
C00056447 | 110139-35-0 | 1-Methoxy-1H-indole-3-methanol | C10H11NO2 | 177.0789786 | Brassica rapa |
C00056707 | 124151-33-3 | Laricin | C16H22O8 | 342.13146768 | Brassica rapa |
C00057251 | 216595-09-4 | 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one | C44H50O26 | 994.25903177 | Brassica rapa |
C00058419 | 112747-98-5 | Clemastanin B | C32H44O16 | 684.26293536 | Brassica rapa |
C00059086 | 1070970-62-5 | Heneicosanol | C21H44O | 312.33921603 | Brassica rapa |
C00059613 | 13080-40-5 | Phoeniceoside | C15H18O9 | 342.09508217 | Brassica rapa |
C00060823 | 219745-00-3 | 3-[[2-O-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | C36H36O19 | 772.18507897 | Brassica rapa |
C00061268 | 28679-05-2 | Eicosanol | C20H42O | 298.32356596 | Brassica rapa |
C00061353 | 30303-65-2 | Docosanol | C22H46O | 326.35486609 | Brassica rapa |
C00061387 | 31362-92-2 | 2-Hydroxy-3-butenyl glucosinolate | C11H19NO10S2 | 389.0450373 | Brassica rapa |
C00061596 | 35913-20-3 | Indole-acetonitrile | C10H8N2 | 156.06874827 | Brassica rapa |
C00062075 | 529-23-7 | 2-Aminobenzaldehyde | C7H7NO | 121.05276385 | Brassica rapa |
C00062690 | 68580-63-2 | Octacosanol | C28H58O | 410.44876647 | Brassica rapa |
C00063048 | 80582-46-3 | cis-p-Coumaric acid 4-O-beta-glucoside | C15H18O8 | 326.10016755 | Brassica rapa |
C00063387 | 92344-57-5 | 2-O-Caffeoylmalic acid | C13H12O8 | 296.05321736 | Brassica rapa |
C00063388 | 92344-58-6 | trans-Sinapoylmalate | C15H16O9 | 340.07943211 | Brassica rapa |