input word = C00063011

Metabolite InformationStructural formula
Name 3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C36H36O17
Mw 740.19524973
CAS RN 78510-18-6
C_ID C00063011
InChIKey KWMWJQVVNZCVAU-MOHPHDMSSA-N
InChICode InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)53-34-30(46)27(43)23(14-48-24(41)11-4-16-2-7-18(37)8-3-16)51-36(34)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/t15-,23+,26-,27+,29+,30-,31+,34+,35-,36-/m0/s1
SMILES CC1OC(OC2C(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea sativa Ref.
zoom in