input word = C00008387

Metabolite InformationStructural formula
Name Naringin 4'-glucoside
Formula C33H42O19
Mw 742.23202916
CAS RN 17257-21-5
C_ID C00008387 ,
InChIKey FHXACOPOJBXRQQ-DWAXPIKYNA-N
InChICode InChI=1S/C33H42O19/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/h2-7,11,17,19-20,22-36,38-45H,8-10H2,1H3/t11-,17-,19-,20-,22+,23-,24-,25+,26-,27+,28-,29-,30-,31+,32-,33-/m1/s1
SMILES c1(cc(c2c(c1)O[C@H](CC2=O)c1ccc(cc1)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)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
PlantaeRutaceaeCitrus spp. Ref.
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