input word = C00055526

Metabolite InformationStructural formula
Name 23-Dehydro-2-epicastasterone
Formula C28H46O5
Mw 462.33452458
CAS RN 934587-27-6
C_ID C00055526
InChIKey SCDXIDQUJYNCEN-BLFILFEGSA-N
InChICode InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,26,29,32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,26+,27+,28+/m0/s1
SMILES [H][C@@]1(CC[C@]2([C@@]3(CC([C@]4(C[C@@H](C(C[C@@]4([C@]3(CC[C@@]21C)[H])C)[H])O)[H])=O)[H])[H])[C@@H]([C@H](C([C@H](C(C)C)C)=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
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