input word = C00063365

Metabolite InformationStructural formula
Name 5-Carboxy-3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-8-hydroxypyrano[4,3,2-de]-1-benzopyrylium
Formula C30H31O17
Mw 663.15612457
CAS RN 916418-09-2
C_ID C00063365
InChIKey WTEPQBXEFJDENG-MOECWIJFSA-O
InChICode InChI=1S/C30H30O17/c1-9-20(34)22(36)24(38)29(43-9)42-8-18-21(35)23(37)25(39)30(46-18)47-27-12-7-17(28(40)41)44-15-5-11(31)6-16(19(12)15)45-26(27)10-2-3-13(32)14(33)4-10/h2-7,9,18,20-25,29-30,34-39H,8H2,1H3,(H3-,31,32,33,40,41)/p+1/t9-,18+,20-,21+,22+,23-,24+,25+,29+,30-/m0/s1
SMILES CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)[o+]c4cc(O)cc5c4c3C=C(C(=O)O)O5)C(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus avium Ref.
zoom in