input word = C00005621

Metabolite InformationStructural formula
Name Dillenetin 3,7-diglucoside
Quercetin 3',4'-dimethyl ether 3,7-diglucoside
2-(3,4-Dimethoxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
Formula C29H34O17
Mw 654.17959966
CAS RN 141852-52-0
C_ID C00005621 ,
InChIKey OTKMBDUQIZDZPW-NOLUQYLLNA-N
InChICode InChI=1S/C29H34O17/c1-40-13-4-3-10(5-14(13)41-2)26-27(46-29-25(39)23(37)20(34)17(9-31)45-29)21(35)18-12(32)6-11(7-15(18)43-26)42-28-24(38)22(36)19(33)16(8-30)44-28/h3-7,16-17,19-20,22-25,28-34,36-39H,8-9H2,1-2H3/t16-,17-,19-,20-,22+,23+,24+,25-,28-,29+/m1/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)c1ccc(c(c1)OC)OC)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeCalamintha grandiflora Ref.
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