input word = C00055408

Metabolite InformationStructural formula
Name Cleogynol
Formula C30H50O4
Mw 474.37091008
CAS RN 189031-58-1
C_ID C00055408
InChIKey VQVGNVXQGAGQRV-KPUBDMCPSA-N
InChICode InChI=1S/C30H50O4/c1-24(2)21-11-14-27(6)22(29(21)16-17-30(24,32)33-18-29)9-8-19-20(10-13-26(19,27)5)28(7)15-12-23(34-28)25(3,4)31/h19-23,31-32H,8-18H2,1-7H3/t19-,20+,21+,22+,23+,26-,27-,28+,29-,30+/m1/s1
SMILES CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]45CC[C@](O)(OC4)C(C)(C)[C@@H]5CC[C@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCleome gynandra Ref.
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