input word = C00038630

Metabolite InformationStructural formula
Name Brandisianin A
4'-O-Prenylolibergin A
Formula C22H22O7
Mw 398.13655306
CAS RN 1004319-36-1
C_ID C00038630 ,
InChIKey XXAVBKIAJPATJF-UHFFFAOYSA-N
InChICode InChI=1S/C22H22O7/c1-12(2)5-6-28-19-10-14(26-3)9-15(22(19)27-4)16-11-29-18-8-13(23)7-17(24)20(18)21(16)25/h5,7-11,23-24H,6H2,1-4H3
SMILES COc1cc(OCC=C(C)C)c(OC)c(-c2coc3cc(O)cc(O)c3c2=O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia brandisiana Ref.
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OrganismMillettia brandisiana
ReferenceKikuchi,J.Nat.Prod.,70,(2007),1910