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 c1(oc2c(c(=O)c1)c(c(c(c2)O)[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)O)c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCrotalaria thebaica Ref.
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