input word = C00013780

Metabolite InformationStructural formula
Name Kaempferol 3-(6G-malonylneohesperidoside)
3-[[6-O-(Carboxyacetyl)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C30H32O18
Mw 680.15886422
CAS RN 528606-92-0
C_ID C00013780 ,
InChIKey JTOOPMHFLOLUPJ-BYTVJPGJNA-N
InChICode InChI=1S/C30H32O18/c1-10-20(37)23(40)25(42)29(44-10)48-28-24(41)21(38)16(9-43-18(36)8-17(34)35)46-30(28)47-27-22(39)19-14(33)6-13(32)7-15(19)45-26(27)11-2-4-12(31)5-3-11/h2-7,10,16,20-21,23-25,28-33,37-38,40-42H,8-9H2,1H3,(H,34,35)/t10-,16-,20+,21-,23-,24+,25+,28-,29+,30+/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeFabaceaeClitoria ternatea Ref.
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