input word = C00064293

Metabolite InformationStructural formula
Name Alliogenin
Formula C27H44O6
Mw 464.31378914
CAS RN 34340-24-4
C_ID C00064293
InChIKey JASYOPOIUHUBJK-XLYQSDPOSA-N
InChICode InChI=1S/C27H44O6/c1-14-5-8-27(32-13-14)15(2)23-21(33-27)10-18-16-9-22(30)26(31)12-20(29)19(28)11-25(26,4)17(16)6-7-24(18,23)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21+,22-,23+,24+,25-,26+,27-/m1/s1
SMILES CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium giganteum Ref.
PlantaeAlliaceaeAllium karataviense Ref.
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