input word = C00008712

Metabolite InformationStructural formula
Name Taxifolin 3'-(6''-phenylacetylglucoside)
Formula C29H28O13
Mw 584.15299098
CAS RN 95519-27-0
C_ID C00008712 ,
InChIKey XKSOGTOYEPHNBP-VDZZITOMNA-N
InChICode InChI=1S/C29H28O13/c30-15-10-17(32)22-19(11-15)40-28(26(37)24(22)35)14-6-7-16(31)18(9-14)41-29-27(38)25(36)23(34)20(42-29)12-39-21(33)8-13-4-2-1-3-5-13/h1-7,9-11,20,23,25-32,34,36-38H,8,12H2/t20-,23-,25+,26+,27-,28+,29-/m1/s1
SMILES O=C(Cc1ccccc1)OCC1O[C@@H](Oc2cc([C@H]3Oc4cc(O)cc(O)c4C(=O)[C@@H]3O)ccc2O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus massoniana Ref.
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