input word = C00004167

Metabolite InformationStructural formula
Name Apigenin 7-neohesperidoside-4'-glucoside
Formula C33H40O19
Mw 740.2163791
CAS RN 31498-83-6
C_ID C00004167 ,
InChIKey PTKZEWKSNFRXLZ-CQVVGNILNA-N
InChICode InChI=1S/C33H40O19/c1-11-22(38)25(41)28(44)31(46-11)52-30-27(43)24(40)20(10-35)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(5-3-12)47-32-29(45)26(42)23(39)19(9-34)50-32/h2-8,11,19-20,22-36,38-45H,9-10H2,1H3/t11-,19-,20-,22-,23+,24+,25-,26-,27-,28+,29-,30-,31-,32+,33+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)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
PlantaeBurseraceaeHedwigia ciliata Ref.
PlantaeRutaceaeCitrus aurantium Ref.
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