input word = C00052773

Metabolite InformationStructural formula
Name 7-O-feruloylorientin
Formula C31H28O14
Mw 624.14790561
CAS RN 934767-98-3
C_ID C00052773
InChIKey QGUUEQUUBFHHIP-MXTFHSSNSA-N
InChICode InChI=1S/C31H28O14/c1-42-21-8-13(2-5-16(21)34)3-7-24(38)43-22-11-19(37)25-18(36)10-20(14-4-6-15(33)17(35)9-14)44-30(25)26(22)31-29(41)28(40)27(39)23(12-32)45-31/h2-11,23,27-29,31-35,37,39-41H,12H2,1H3/b7-3+/t23-,27-,28+,29-,31?/m1/s1
SMILES COc1cc(/C=C/C(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana straminea Ref.
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