input word = C00055373

Metabolite InformationStructural formula
Name Bafoudiosbulbin D
Formula C21H22O8
Mw 402.13146768
CAS RN 953793-45-8
C_ID C00055373
InChIKey PBNLXMJXIOMYPT-HKAVGCFZSA-N
InChICode InChI=1S/C21H22O8/c1-19-7-13(10-3-4-26-9-10)29-20(19)8-15(28-17(20)23)21-12(16(22)25-2)5-11(6-14(19)21)27-18(21)24/h3-4,9,11-15H,5-8H2,1-2H3/t11-,12-,13-,14+,15-,19+,20+,21+/m1/s1
SMILES O=C(O1)[C@@]23C[C@]1([H])[C@]45[C@@H](C(OC)=O)C[C@](OC5=O)([H])C[C@@]4([H])[C@]2(C)C[C@H](C6=COC=C6)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera var. sativa Ref.
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