input word = C00060782

Metabolite InformationStructural formula
Name 3-[[6-O-Acetyl-2-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium
Formula C30H27O16
Mw 643.12990982
CAS RN 211995-74-3
C_ID C00060782
InChIKey PDQFRMLNCALEBS-QDIGOSCNSA-O
InChICode InChI=1S/C30H26O16/c1-11(31)42-10-23-25(39)26(40)28(46-29(41)13-5-19(36)24(38)20(37)6-13)30(45-23)44-22-9-15-17(34)7-14(32)8-21(15)43-27(22)12-2-3-16(33)18(35)4-12/h2-9,23,25-26,28,30,39-40H,10H2,1H3,(H6-,32,33,34,35,36,37,38,41)/p+1/t23-,25+,26+,28-,30-/m1/s1
SMILES CC(=O)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNymphaea alba Ref.
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