input word = C00057735

Metabolite InformationStructural formula
Name 6'-O-Vanilloylisotachioside
Formula C21H24O11
Mw 452.13186161
CAS RN 1005452-03-8
C_ID C00057735
InChIKey XVFNZQPKGWNFIY-LGZXNVCGSA-N
InChICode InChI=1S/C21H24O10/c1-9-16(25)19(28)21(30-14-6-3-10(23)7-15(14)29-2)31-20(9)18(27)11-4-5-13(24)12(8-22)17(11)26/h3-7,9,16,19-26,28H,8H2,1-2H3/t9-,16-,19+,20-,21+/m0/s1
SMILES COc1cc(O)ccc1O[C@@H]1O[C@H](C(=O)c2ccc(O)c(CO)c2O)[C@@H](C)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Baccaurea ramiflora Ref.
zoom in