input word = C00005468

Metabolite InformationStructural formula
Name Quercetin 3-gentiobioside-7-glucuronide
Formula C33H38O23
Mw 802.18038753
CAS RN 134981-90-1
C_ID C00005468 ,
InChIKey LCFUXBSUDLBRRL-PDFGYGHZNA-N
InChICode InChI=1S/C33H38O23/c34-6-14-17(38)20(41)24(45)31(53-14)50-7-15-18(39)21(42)25(46)33(54-15)55-28-19(40)16-12(37)4-9(51-32-26(47)22(43)23(44)29(56-32)30(48)49)5-13(16)52-27(28)8-1-2-10(35)11(36)3-8/h1-5,14-15,17-18,20-26,29,31-39,41-47H,6-7H2,(H,48,49)/t14-,15+,17+,18+,20-,21-,22-,23-,24-,25+,26-,29-,31-,32+,33-/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[C@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeTulipa gesneriana Ref.
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