input word = C00013851

Metabolite InformationStructural formula
Name Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinopyranoside-7-glucoside
Calabricoside A
3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
Formula C32H38O20
Mw 742.19564366
CAS RN 356518-09-7
C_ID C00013851 ,
InChIKey PIVQUVFXPIBUOI-UFIMBVIHNA-N
InChICode InChI=1S/C32H38O20/c1-9-19(38)23(42)25(44)30(47-9)52-29-20(39)15(37)8-46-32(29)51-28-22(41)18-14(36)5-11(48-31-26(45)24(43)21(40)17(7-33)50-31)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17-,19-,20+,21+,23+,24-,25-,26-,29+,30-,31+,32+/m0/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)c(cc(c2)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePutoria calabrica Ref.
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