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 Oc1cc(O)cc(/C=C/c2ccc3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](c2cc(O)cc(O)c2)O3)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaragana tibetica KOM. Ref.
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