input word = C00056592

Metabolite InformationStructural formula
Name Diosbulbisin C
Formula C27H40O5
Mw 444.28757439
CAS RN 1193603-14-3
C_ID C00056592
InChIKey MJWCLSBMPLOHJT-BHRXFIPESA-N
InChICode InChI=1S/C27H40O5/c1-16-26(12-11-23(2,15-28)32-26)31-22-14-21-19-6-5-17-13-18(29)7-9-24(17,3)20(19)8-10-25(21,4)27(16,22)30/h13,16,19-22,28,30H,5-12,14-15H2,1-4H3/t16-,19-,20+,21+,22+,23+,24+,25+,26+,27-/m1/s1
SMILES C[C@@H]1[C@@]2(CC[C@@](C)(CO)O2)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
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