input word = C00019801

Metabolite InformationStructural formula
Name Bisosthenon
Formula C28H24O8
Mw 488.14711774
CAS RN 123672-84-4
C_ID C00019801 ,
InChIKey WZTQDHIHDRTWFQ-MNHALERFNA-N
InChICode InChI=1S/C28H24O8/c1-13(29)21-22(14(2)30)26(24-18(34-4)10-6-16-8-12-20(32)36-28(16)24)25(21)23-17(33-3)9-5-15-7-11-19(31)35-27(15)23/h5-12,21-22,25-26H,1-4H3/t21-,22+,25-,26+
SMILES COc1ccc2ccc(=O)oc2c1[C@@H]1[C@@H](C(C)=O)[C@@H](C(C)=O)[C@@H]1c1c(OC)ccc2ccc(=O)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeCitrus sp. Ref.
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OrganismCitrus paradisi
ReferenceY. Takemura et al., Chem. Abs., (1997), 127, 95138.