input word = C00000191

Metabolite InformationStructural formula
Name 2-Deoxy-28-homocastasterone
Formula C29H50O4
Mw 462.37091008
CAS RN
C_ID C00000191 ,
InChIKey DYENWMUXSKPFLC-ODUYCFRONA-N
InChICode InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3/t17-,18+,19-,20+,21+,22+,23-,24+,26+,27+,28+,29+/m0/s1
SMILES C1[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](CC)C(C)C)O)C)C)CC2=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
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OrganismPhaseolus vulgaris
ReferenceKim,Natural occurrence of brassinosteroids,(1991),26