input word = C00036261

Metabolite InformationStructural formula
Name 2-Epicastasterone
Formula C28H48O5
Mw 464.35017464
CAS RN 121468-14-2
C_ID C00036261 ,
InChIKey VYUIKSFYFRVQLF-CYFGFIJUNA-N
InChICode InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24-,25+,26+,27-,28+/m0/s1
SMILES [C@H]1([C@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2=O)[C@H]2[C@@](CC1)([C@H](CC2)[C@@H]([C@H]([C@@H]([C@@H](C)C(C)C)O)O)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris L. Ref.
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OrganismPhaseolus vulgaris L.
ReferenceBajguz,Phytochem.,62,(2003),1027