input word = C00005467

Metabolite InformationStructural formula
Name Quercetin 3-gentiobioside-7-glucoside
Formula C33H40O22
Mw 788.20112297
CAS RN 84534-23-6
C_ID C00005467 ,
InChIKey YPWUHQOSVLBEID-BZZUQPSMNA-N
InChICode InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-8-17-21(41)25(45)28(48)33(54-17)55-30-22(42)18-13(38)4-10(50-32-27(47)24(44)20(40)16(7-35)53-32)5-14(18)51-29(30)9-1-2-11(36)12(37)3-9/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16+,17-,19-,20-,21-,23+,24+,25-,26-,27+,28-,31-,32-,33+/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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)c1ccc(c(c1)O)O)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
PlantaeZygophyllaceaeFagonia glutinosa Ref.
PlantaeZygophyllaceaeFagonia microphylla Ref.
PlantaeZygophyllaceaeTribulus longipetalus Ref.
PlantaeZygophyllaceaeTribulus pentandrus Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
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