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@@]12C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])C[C@@]5([H])[C@]4(O)[C@H](C)[C@]6(OC[C@@](C)(O)CC6)O5)=CC(CC1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
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OrganismDioscorea bulbifera
ReferenceLiu, H. et al., J. Nat. Prod., 2009, 72, 1964-1968 (Diosbulbisin B)