KNApSAcK Metabolite C00006314
Metabolite
KNApSAcK Entry
| id | C00006314 |
|---|---|
| Name | Isoorientin 3',6''-di-O-glucoside |
| CAS RN | 98568-81-1 |
| Standard InChI | InChI=1S/C33H40O21/c34-6-16-21(39)26(44)29(47)32(53-16)49-8-18-23(41)25(43)28(46)31(51-18)20-12(38)5-15-19(24(20)42)11(37)4-13(50-15)9-1-2-10(36)14(3-9)52-33-30(48)27(45)22(40)17(7-35)54-33/h1-5,16-18,21-23,25-36,38-48H,6-8H2/t16?,17?,18?,21-,22-,23-,25+,26+,27+,28?,29?,30?,31+,32-,33-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C33H40O21/c34-6-16-21(39)26(44)29(47)32(53-16)49-8-18-23(41)25(43)28(46)31(51-18)20-12(38)5-15-19(24(20)42)11(37)4-13(50-15)9-1-2-10(36)14(3-9)52-33-30(48)27(45)22(40)17(7-35)54-33/h1-5,16-18,21-23,25-36,38-48H,6-8H2 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 5 |
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 |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Gentianaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Gentiana pedicellata | 21496 | Gentianaceae | asterids | Viridiplantae |