input word = C00013867

Metabolite InformationStructural formula
Name Quercetin 7-(6''-galloylglucoside)
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C28H24O16
Mw 616.10643472
CAS RN 231289-25-1
C_ID C00013867 ,
InChIKey USBMLXYFQKQZDJ-AVSCIERANA-N
InChICode InChI=1S/C28H24O16/c29-12-2-1-9(3-13(12)30)26-24(38)22(36)19-14(31)6-11(7-17(19)43-26)42-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-15(32)20(34)16(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2/t18-,21-,23+,25-,28-/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O)c(cc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1cc(c(c(c1)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia farnesiana Ref.
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