Name |
Quercetin 3-(6''-malonylneohesperidoside) Quercetin 3-O-(2''-O-alpha-rhamnosyl-6''-O-malonyl)-beta-glucoside 3-[[6-O-(carboxyacetyl)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
Formula |
C30H32O19 |
Mw |
696.15377884 |
CAS RN |
528606-93-1 |
C_ID |
C00013872
,
|
InChIKey |
NTHFGJOIFSTXSI-CQUCIDQSNA-N |
InChICode |
InChI=1S/C30H32O19/c1-9-20(38)23(41)25(43)29(45-9)49-28-24(42)21(39)16(8-44-18(37)7-17(35)36)47-30(28)48-27-22(40)19-14(34)5-11(31)6-15(19)46-26(27)10-2-3-12(32)13(33)4-10/h2-6,9,16,20-21,23-25,28-34,38-39,41-43H,7-8H2,1H3,(H,35,36)/t9-,16-,20+,21-,23-,24+,25+,28+,29+,30+/m1/s1 |
SMILES |
c1c(ccc(c1O)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)c(cc(c2)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
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Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Fabaceae | Clitoria ternatea | Ref. |
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