KNApSAcK Metabolite C00013888
Metabolite
KNApSAcK Entry
| id | C00013888 |
|---|---|
| Name | Quercetin 3-(6''-caffeoylsophoroside)-7-rhamnoside / 7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]-5-hydroxy-4H-1-benzopyran-4-one |
| CAS RN | 342620-93-3 |
| Standard InChI | InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(66-41-36(58)33(55)29(51)24(12-43)63-41)34(56)30(52)25(64-42)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14?,24?,25?,28-,29+,30+,32?,33-,34-,35-,36?,39?,40-,41-,42-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(66-41-36(58)33(55)29(51)24(12-43)63-41)34(56)30(52)25(64-42)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 7 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Ranunculaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aconitum baicalense | 50863 | Ranunculaceae | eudicotyledons | Viridiplantae |