input word = C00014344

Metabolite InformationStructural formula
Name Alhagidin
5,7,3'-Trihydroxy-4'-methoxyflavanone 7-galactosyl-(1->2)-[rhamnosyl-(1->6)]glucoside
Formula C34H44O20
Mw 772.24259385
CAS RN 238750-98-6
C_ID C00014344 ,
InChIKey RYTOQEJVKIKIBZ-WMRGHSDJNA-N
InChICode InChI=1S/C34H44O20/c1-11-23(39)26(42)29(45)32(49-11)48-10-21-25(41)28(44)31(54-33-30(46)27(43)24(40)20(9-35)52-33)34(53-21)50-13-6-15(37)22-16(38)8-18(51-19(22)7-13)12-3-4-17(47-2)14(36)5-12/h3-7,11,18,20-21,23-37,39-46H,8-10H2,1-2H3/t11-,18-,20-,21+,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34+/m0/s1
SMILES COc1ccc(C2CC(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)cc3O2)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlhagi pseudalhagi Ref.
PlantaeFabaceaeAlhagi pseudoalhagi Ref.
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OrganismAlhagi pseudoalhagi
ReferenceSingh,Phytochem.,51,(1999),587