input word = C00060035

Metabolite InformationStructural formula
Name 2-(3,4-Dimethoxyphenyl)-3-[[4-O-(3-hydroxy-5-methoxy-3-methyl-1,5-dioxopentyl)-beta-D-glucopyranosyl]oxy]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Formula C34H42O18
Mw 738.23711454
CAS RN 149402-87-9
C_ID C00060035
InChIKey SDHSZGRNOYHBEG-OYBDMLMGSA-N
InChICode InChI=1S/C34H42O18/c1-34(41,12-19(36)44-4)13-20(37)50-26-18(14-35)49-33(24(40)23(26)39)52-29-22(38)21-27(45-5)30(46-6)32(48-8)31(47-7)28(21)51-25(29)15-9-10-16(42-2)17(11-15)43-3/h9-11,18,23-24,26,33,35,39-41H,12-14H2,1-8H3/t18-,23-,24-,26-,33+,34?/m1/s1
SMILES COC(=O)CC(C)(O)CC(=O)OC1C(CO)OC(Oc2c(-c3ccc(OC)c(OC)c3)oc3c(OC)c(OC)c(OC)c(OC)c3c2=O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus reticulata Ref.
zoom in