input word = C00006298

Metabolite InformationStructural formula
Name Isoorientin 2''-O-(E)-p-coumarate
Formula C30H26O13
Mw 594.13734092
CAS RN 73328-49-1
C_ID C00006298 ,
InChIKey QOUGAWSKIQDRKY-HVRWQXKCNA-N
InChICode InChI=1S/C30H26O13/c31-12-22-26(38)28(40)30(43-23(37)8-3-13-1-5-15(32)6-2-13)29(42-22)25-19(36)11-21-24(27(25)39)18(35)10-20(41-21)14-4-7-16(33)17(34)9-14/h1-11,22,26,28-34,36,38-40H,12H2/b8-3+/t22-,26+,28-,29-,30+/m0/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OC1[C@@H](O)[C@H](O)C(CO)O[C@H]1c1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana sp. Ref.
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