input word = C00014325

Metabolite InformationStructural formula
Name 7,4'-Dihydroxy-5-methoxyflavanone 7-neohesperidoside-4'-glucoside
Formula C34H44O19
Mw 756.24767923
CAS RN 203193-15-1
C_ID C00014325 ,
InChIKey CXVYODRYHCJCCK-NFSUZIJPNA-N
InChICode InChI=1S/C34H44O19/c1-12-23(38)26(41)29(44)32(47-12)53-31-28(43)25(40)21(11-36)52-34(31)49-15-7-18(46-2)22-16(37)9-17(50-19(22)8-15)13-3-5-14(6-4-13)48-33-30(45)27(42)24(39)20(10-35)51-33/h3-8,12,17,20-21,23-36,38-45H,9-11H2,1-2H3/t12-,17-,20+,21+,23-,24+,25+,26-,27-,28-,29-,30+,31-,32-,33+,34+/m0/s1
SMILES COc1cc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)cc2c1C(=O)CC(c1ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClerodendrum phlomidis Ref.
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