input word = C00063811

Metabolite InformationStructural formula
Name Alliogenin 2-O-beta-D-glucopyranoside
Formula C33H54O11
Mw 626.36661257
CAS RN 134955-77-4
C_ID C00063811
InChIKey SZSOLMOJQBRGCV-NPOLDFOASA-N
InChICode InChI=1S/C33H54O11/c1-15-5-8-33(41-14-15)16(2)25-21(44-33)10-19-17-9-24(36)32(40)11-20(35)22(12-31(32,4)18(17)6-7-30(19,25)3)42-29-28(39)27(38)26(37)23(13-34)43-29/h15-29,34-40H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33-/m1/s1
SMILES CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)C(OC6OC(CO)C(O)C(O)C6O)CC5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium albopilosum Ref.
PlantaeAlliaceaeAllium karataviense Ref.
PlantaeAlliaceaeAllium ostrowskianum Ref.
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