| Name |
Quercetin 3-(2''-caffeoylglucoside)-(1->2)-(6''-malonylglucoside)
3-[[6-O-(Carboxyacetyl)-2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
| Formula |
C39H38O23 |
| Mw |
874.18038753 |
| CAS RN |
219745-03-6 |
| C_ID |
C00013881
, 
|
| InChIKey |
GHQZDGVFTPXZGR-QMCBJXRZNA-N |
| InChICode |
InChI=1S/C39H38O23/c40-12-23-29(51)32(54)36(60-26(49)6-2-14-1-4-17(42)19(44)7-14)38(58-23)62-37-33(55)30(52)24(13-56-27(50)11-25(47)48)59-39(37)61-35-31(53)28-21(46)9-16(41)10-22(28)57-34(35)15-3-5-18(43)20(45)8-15/h1-10,23-24,29-30,32-33,36-46,51-52,54-55H,11-13H2,(H,47,48)/b6-2+/t23-,24+,29-,30-,32+,33+,36+,37-,38+,39+/m1/s1 |
| SMILES |
c1c(cc(c(c1)O)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)CO)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)c(cc(c2)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Petunia hybrida cv. Mitchell | Ref. |
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