input word = C00055372

Metabolite InformationStructural formula
Name Bafoudiosbulbin E
Formula C21H20O9
Mw 416.11073224
CAS RN 953793-51-6
C_ID C00055372
InChIKey FZLCCQVZOOLAJI-RDWYMFLLSA-N
InChICode InChI=1S/C21H20O9/c1-18-6-11(9-3-4-26-8-9)29-19(18)7-13(28-15(19)22)20-12(18)5-10(27-16(20)23)14-21(20,30-14)17(24)25-2/h3-4,8,10-14H,5-7H2,1-2H3/t10-,11+,12-,13+,14+,18-,19-,20+,21-/m0/s1
SMILES COC(=O)[C@@]12O[C@@H]1[C@@H]1C[C@@H]3[C@]2(C(=O)O1)[C@H]1C[C@]2(O[C@@H](c4ccoc4)C[C@@]32C)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera var. sativa Ref.
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OrganismDioscorea bulbifera var. sativa
ReferenceTeponno, R.B. et al., Helv. Chim. Acta, 2007, 90, 1599-1605 (Bafoudiosbulbin E)