input word = C00000188

Metabolite InformationStructural formula
Name 3,24-Diepicastasterone
Formula C28H48O5
Mw 464.35017464
CAS RN 121468-16-4
C_ID C00000188 ,
InChIKey VYUIKSFYFRVQLF-HOGYLHEMNA-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-/m1/s1
SMILES [C@@H]1([C@@H](C[C@H]2[C@](C1)([C@@H]1[C@H]([C@H]3[C@@](CC1)([C@H](CC3)[C@@H]([C@H]([C@H](O)[C@H](C)C(C)C)O)C)C)CC2=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
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