input word = C00005619

Metabolite InformationStructural formula
Name Dillenetin 3-neohesperidoside
Quercetin 3',4'-dimethyl ether 3-neohesperidoside
3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C29H34O16
Mw 638.18468504
CAS RN 160809-60-9
C_ID C00005619 ,
InChIKey VVPNVCFMXIBGMP-ANZGOYOTNA-N
InChICode InChI=1S/C29H34O16/c1-10-19(33)22(36)24(38)28(41-10)45-27-23(37)20(34)17(9-30)43-29(27)44-26-21(35)18-13(32)7-12(31)8-16(18)42-25(26)11-4-5-14(39-2)15(6-11)40-3/h4-8,10,17,19-20,22-24,27-34,36-38H,9H2,1-3H3/t10-,17-,19-,20-,22+,23+,24-,27+,28-,29-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(c(c1)OC)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCrotalaria verrucosa Ref.
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