KNApSAcK Metabolite C00013881
Metabolite
KNApSAcK Entry
| id | C00013881 |
|---|---|
| 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 |
| CAS RN | 219745-03-6 |
| Standard InChI | 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 |
| Standard InChI (Main Layer) | 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) |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 7 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
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CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Solanaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Petunia hybrida cv. Mitchell | 4101 | Solanaceae | asterids | Viridiplantae |