input word = C00009981

Metabolite InformationStructural formula
Name Volubinol
Formula C22H22O8
Mw 414.13146768
CAS RN 93290-65-4
C_ID C00009981 ,
InChIKey DPDXNBBSGYDSMO-UHFFFAOYNA-N
InChICode InChI=1S/C22H22O8/c1-10(8-23)16-5-12-15(29-16)4-3-11-20(12)30-19-9-28-17-7-14(24)18(27-2)6-13(17)22(19,26)21(11)25/h3-4,6-7,10,16,19,23-24,26H,5,8-9H2,1-2H3/t10-,16-,19+,22+/m1/s1
SMILES COc1cc2c(cc1O)OCC1Oc3c(ccc4c3CC(C(C)CO)O4)C(=O)C21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia volubilis Ref.
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