input word = C00054505

Metabolite InformationStructural formula
Name Anzurogenin A
Formula C27H42O6
Mw 462.29813907
CAS RN 115332-88-2
C_ID C00054505
InChIKey XRTVQZVQFIZUBV-ABDXXXKWSA-N
InChICode InChI=1S/C27H42O6/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/h14-21,23,28-29,31H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21+,23+,24+,25-,26-,27-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium stipitatum Ref.
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OrganismAllium stipitatum
ReferenceGorovits, M.B. et al., Khim. Prir. Soedin., 1971, 7, 434

1973, 9, 747

1971, 7, 412

1973, 9, 715 (isol, Alliogenin, Karatavigenin A)