input word = C00038603

Metabolite InformationStructural formula
Name Bipinnatone B
Formula C25H30O5
Mw 410.20932407
CAS RN 1065546-06-6
C_ID C00038603 ,
InChIKey NJIYMLLTXNGJHV-REZTVBANSA-N
InChICode InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-10-19-13-18(8-11-21(19)27)9-12-22(28)25-23(29)14-20(26)15-24(25)30/h5,7-8,11,13-15,26-27,29-30H,4,6,9-10,12H2,1-3H3/b17-7+
SMILES c1c(c(cc(c1)CCC(=O)c1c(cc(cc1O)O)O)C/C=C(/CCC=C(C)C)\C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeBoronia bipinnata Ref.
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