input word = C00014341

Metabolite InformationStructural formula
Name 7,8,3',4'-Tetrahydroxyflavanone 7-(2,4,6-triacetylglucoside)
Formula C27H28O14
Mw 576.14790561
CAS RN 194600-21-0
C_ID C00014341 ,
InChIKey XZJFDPWKIXOQLU-QWGCIRQFNA-N
InChICode InChI=1S/C27H28O14/c1-11(28)36-10-21-25(37-12(2)29)23(35)26(38-13(3)30)27(41-21)40-19-7-5-15-17(32)9-20(39-24(15)22(19)34)14-4-6-16(31)18(33)8-14/h4-8,20-21,23,25-27,31,33-35H,9-10H2,1-3H3/t20-,21+,23-,25-,26+,27+/m0/s1
SMILES CC(=O)OCC1O[C@@H](Oc2ccc3c(c2O)OC(c2ccc(O)c(O)c2)CC3=O)C(OC(C)=O)[C@@H](O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens pilosa Ref.
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