KNApSAcK Metabolite C00006323
Metabolite
KNApSAcK Entry
| id | C00006323 |
|---|---|
| Name | Isorientin 4'-O-glucoside 2''-O-p-hydroxybenzoate |
| CAS RN | 67308-39-8 |
| Standard InChI | InChI=1S/C34H34O18/c35-10-21-26(42)29(45)32(52-33(47)12-1-4-14(37)5-2-12)31(49-21)24-17(40)9-20-23(27(24)43)16(39)8-19(48-20)13-3-6-18(15(38)7-13)50-34-30(46)28(44)25(41)22(11-36)51-34/h1-9,21-22,25-26,28-32,34-38,40-46H,10-11H2/t21?,22?,25-,26-,28+,29+,30?,31+,32?,34-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C34H34O18/c35-10-21-26(42)29(45)32(52-33(47)12-1-4-14(37)5-2-12)31(49-21)24-17(40)9-20-23(27(24)43)16(39)8-19(48-20)13-3-6-18(15(38)7-13)50-34-30(46)28(44)25(41)22(11-36)51-34/h1-9,21-22,25-26,28-32,34-38,40-46H,10-11H2 |
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 |
|---|---|
| Gentianaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Gentiana asclepiadea | 49935 | Gentianaceae | asterids | Viridiplantae |