input word = C00038287

Metabolite InformationStructural formula
Name 5alpha-Stigmastnae-3beta,5,6beta-triol
Formula C29H52O2
Mw 432.3967309
CAS RN 112244-29-8
C_ID C00038287 ,
InChIKey FFLGORGANMRISQ-JWBGOFGLNA-N
InChICode InChI=1S/C29H52O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-27,30-31H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,28-,29-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](C[C@@H]2O)[C@H]2[C@](CC1)([C@H](CC2)[C@H](C)CC[C@H](C(C)C)CC)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia boetica Ref.
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