input word = C00038602

Metabolite InformationStructural formula
Name Bipinnatone A
Formula C30H38O5
Mw 478.27192432
CAS RN 1065546-02-2
C_ID C00038602 ,
InChIKey SJBBGMVJNAOUOI-VLURGLOZSA-N
InChICode InChI=1S/C30H38O5/c1-20(2)7-5-8-21(3)9-6-10-22(4)11-14-24-17-23(12-15-26(24)32)13-16-27(33)30-28(34)18-25(31)19-29(30)35/h7,9,11-12,15,17-19,31-32,34-35H,5-6,8,10,13-14,16H2,1-4H3/b21-9+,22-11+
SMILES c1c(c(cc(c1)CCC(=O)c1c(cc(cc1O)O)O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeBoronia bipinnata Ref.
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OrganismBoronia bipinnata
ReferenceCarroll,J.Nat.Prod.,71,(2008),1479