input word = C00006163

Metabolite InformationStructural formula
Name Isoorientin 2'',6''-diacetate
2'',6''-Di-O-acetylisoorientin
Formula C25H24O13
Mw 532.12169086
CAS RN 131507-98-7
C_ID C00006163 ,
InChIKey JBEPAVBUODEETF-OTKUJDIRNA-N
InChICode InChI=1S/C25H24O13/c1-9(26)35-8-18-21(32)23(34)25(36-10(2)27)24(38-18)20-15(31)7-17-19(22(20)33)14(30)6-16(37-17)11-3-4-12(28)13(29)5-11/h3-7,18,21,23-25,28-29,31-34H,8H2,1-2H3/t18-,21-,23+,24+,25+/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)COC(=O)C)O)O)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRumex acetosa Ref.
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