input word = C00060781

Metabolite InformationStructural formula
Name 5,7-Dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium
Formula C28H25O16
Mw 617.11425975
CAS RN 211995-71-0
C_ID C00060781
InChIKey DPASDXFUYSHIAA-JGSGXJSYSA-O
InChICode InChI=1S/C28H24O16/c29-8-20-23(38)24(39)26(44-27(40)10-3-16(34)22(37)17(35)4-10)28(43-20)42-19-7-12-13(31)5-11(30)6-18(12)41-25(19)9-1-14(32)21(36)15(33)2-9/h1-7,20,23-24,26,28-29,38-39H,8H2,(H7-,30,31,32,33,34,35,36,37,40)/p+1/t20-,23+,24+,26-,28-/m1/s1
SMILES O=C(OC1C(Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNymphaea alba Ref.
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