input word = C00060034

Metabolite InformationStructural formula
Name 3-Hydroxy-3-methyl-, 4'-ester with 2-(3,4-dimethoxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one, pentanedioic acid
Formula C33H40O18
Mw 724.22146448
CAS RN 149402-86-8
C_ID C00060034
InChIKey CVXKGASPLHAFDX-ACIMVYIHSA-N
InChICode InChI=1S/C33H40O18/c1-33(41,11-18(35)36)12-19(37)49-25-17(13-34)48-32(23(40)22(25)39)51-28-21(38)20-26(44-4)29(45-5)31(47-7)30(46-6)27(20)50-24(28)14-8-9-15(42-2)16(10-14)43-3/h8-10,17,22-23,25,32,34,39-41H,11-13H2,1-7H3,(H,35,36)/t17-,22-,23-,25-,32+,33?/m1/s1
SMILES COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC2OC(CO)C(OC(=O)CC(C)(O)CC(=O)O)C(O)C2O)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus reticulata Ref.
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