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 c1(cc2c(c(c1)OC)C(=O)C[C@H](O2)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClerodendrum phlomidis Ref.
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