input word = C00014099

Metabolite InformationStructural formula
Name Isoorientin 6''-O-acetate
Formula C23H22O12
Mw 490.11112617
CAS RN
C_ID C00014099 ,
InChIKey OPCOMKDNMGTBOB-YWENGCPVNA-N
InChICode InChI=1S/C23H22O12/c1-8(24)33-7-16-19(29)21(31)22(32)23(35-16)18-13(28)6-15-17(20(18)30)12(27)5-14(34-15)9-2-3-10(25)11(26)4-9/h2-6,16,19,21-23,25-26,28-32H,7H2,1H3/t16-,19-,21+,22+,23+/m1/s1
SMILES CC(=O)OCC1O[C@@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCrotalaria thebaica Ref.
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