input word = C00031658

Metabolite InformationStructural formula
Name Cassigarol G
Formula C28H20O8
Mw 484.11581762
CAS RN 158732-57-1
C_ID C00031658 ,
InChIKey DWARHOLOHNYUGA-SSFBFVQWNA-N
InChICode InChI=1S/C28H20O8/c29-15-5-14(6-16(30)8-15)2-1-13-3-4-24-25(7-13)36-27-19-12-22(33)21(32)11-18(19)26-20(28(27)35-24)9-17(31)10-23(26)34/h1-12,27-34H/b2-1+/t27-,28-/m1/s1
SMILES Oc1cc(O)cc(/C=C/c2ccc3c(c2)O[C@@H]2c4cc(O)c(O)cc4-c4c(O)cc(O)cc4[C@H]2O3)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaragana tibetica KOM. Ref.
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OrganismCaragana tibetica KOM.
ReferenceXiang,Chem.Pharm.Bull.,53,(2005),1204