input word = C00029446

Metabolite InformationStructural formula
Name 22beta-Hydroxystellatogenin
Formula C30H48O5
Mw 488.35017464
CAS RN 205439-98-1
C_ID C00029446 ,
InChIKey SXBAXCRSULAGTP-PQDLQPINNA-N
InChICode InChI=1S/C30H48O5/c1-25(2)17-10-13-29(7)18(27(17,5)12-11-19(25)31)9-8-16-20-21(26(3,4)34)22-23(32)30(20,24(33)35-22)15-14-28(16,29)6/h16-23,31-32,34H,8-15H2,1-7H3/t16-,17-,18-,19+,20-,21+,22-,23-,27+,28-,29-,30+/m1/s1
SMILES [C@H]1(O)[C@]23CC[C@]4([C@@]5(CC[C@@H]6C([C@H](CC[C@@]6([C@H]5CC[C@@H]4[C@@H]2[C@@H]([C@H]1OC3=O)C(O)(C)C)C)O)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeStenocereus eruca Ref.
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