input word = C00056591

Metabolite InformationStructural formula
Name Diosbulbisin B
Formula C27H40O5
Mw 444.28757439
CAS RN 1193603-13-2
C_ID C00056591
InChIKey VIICIDHJJSSKLQ-PSMVTDORSA-N
InChICode InChI=1S/C27H40O5/c1-16-26(12-11-23(2,29)15-31-26)32-22-14-21-19-6-5-17-13-18(28)7-9-24(17,3)20(19)8-10-25(21,4)27(16,22)30/h13,16,19-22,29-30H,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)(O)CO2)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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