input word = C00006143

Metabolite InformationStructural formula
Name Isoorientin 2''-acetate
2''-O-Acetylisoorientin
Formula C23H22O12
Mw 490.11112617
CAS RN 131508-00-4
C_ID C00006143 ,
InChIKey LZCYTIIPENLJKB-KWAXXUBGNA-N
InChICode InChI=1S/C23H22O12/c1-8(25)33-23-21(32)19(30)16(7-24)35-22(23)18-13(29)6-15-17(20(18)31)12(28)5-14(34-15)9-2-3-10(26)11(27)4-9/h2-6,16,19,21-24,26-27,29-32H,7H2,1H3/t16-,19-,21+,22+,23-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRumex acetosa Ref.
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