input word = C00031657

Metabolite InformationStructural formula
Name Cassigarol E
Formula C28H22O8
Mw 486.13146768
CAS RN 158732-56-0
C_ID C00031657 ,
InChIKey PKWWKWRCCYGTHQ-SSFBFVQWNA-N
InChICode InChI=1S/C28H22O8/c29-19-7-16(8-20(30)13-19)2-1-15-3-6-25-26(9-15)36-27(17-4-5-23(33)24(34)12-17)28(35-25)18-10-21(31)14-22(32)11-18/h1-14,27-34H/b2-1+/t27-,28+/m1/s1
SMILES c1(ccc2c(c1)O[C@@H]([C@@H](O2)c1cc(cc(c1)O)O)c1ccc(c(c1)O)O)/C=C/c1cc(cc(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaragana tibetica KOM. Ref.
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