input word = C00013871

Metabolite InformationStructural formula
Name Quercetin 3-(2''-galoylrutinoside)
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C34H34O20
Mw 762.16434353
CAS RN 175032-96-9
C_ID C00013871 ,
InChIKey WNNLVRNEJVFNSP-KFKKPHNLNA-N
InChICode InChI=1S/C34H34O20/c1-10-22(41)26(45)28(47)33(50-10)49-9-20-24(43)27(46)31(53-32(48)12-5-17(39)23(42)18(40)6-12)34(52-20)54-30-25(44)21-16(38)7-13(35)8-19(21)51-29(30)11-2-3-14(36)15(37)4-11/h2-8,10,20,22,24,26-28,31,33-43,45-47H,9H2,1H3/t10-,20+,22-,24+,26+,27-,28-,31+,33+,34-/m0/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia ebractedata Ref.
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