input word = C00033564

Metabolite InformationStructural formula
Name 3-O-(2-O-beta-Xylopyranosyl-6-O-(Z)-p-coumaroyl)-beta-galactopyranoside
Formula C35H35O17
Mw 727.1874247
CAS RN 1104327-81-2
C_ID C00033564 ,
InChIKey KMIJRKZNTFVLAI-RRSFOGIGNA-O
InChICode InChI=1S/C35H34O17/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42)/p+1/t23-,26-,28+,29+,30+,31-,33-,34+,35-/m1/s1
SMILES O=C(/C=Cc1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia reticulata Ref.
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