input word = C00006257

Metabolite InformationStructural formula
Name 2''-(4'''-Hydroxybenzoyl)-isoorientin
Formula C28H24O13
Mw 568.12169086
CAS RN 67308-38-7
C_ID C00006257 ,
InChIKey CMHUXCFQCMZVCA-BBBGOSSINA-N
InChICode InChI=1S/C28H24O13/c29-10-20-23(35)25(37)27(41-28(38)11-1-4-13(30)5-2-11)26(40-20)22-17(34)9-19-21(24(22)36)16(33)8-18(39-19)12-3-6-14(31)15(32)7-12/h1-9,20,23,25-27,29-32,34-37H,10H2/t20-,23-,25+,26+,27-/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)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea gigantea Ref.
PlantaeGentianaceaeGentiana asclepiadea Ref.
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OrganismGentiana asclepiadea
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 549,C-glycosylflavones

Goetz,Herv.Chim.Acta.,61,(1978),1373