KNApSAcK Metabolite C00014095
Metabolite
KNApSAcK Entry
| id | C00014095 |
|---|---|
| Name | Isoswertisin 3''-O-(2'''-methylbutyrate) |
| CAS RN | 681152-40-9 |
| Standard InChI | InChI=1S/C27H30O11/c1-4-12(2)27(34)38-26-22(32)19(11-28)37-25(23(26)33)21-18(35-3)10-16(31)20-15(30)9-17(36-24(20)21)13-5-7-14(29)8-6-13/h5-10,12,19,22-23,25-26,28-29,31-33H,4,11H2,1-3H3/t12?,19?,22-,23?,25+,26+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H30O11/c1-4-12(2)27(34)38-26-22(32)19(11-28)37-25(23(26)33)21-18(35-3)10-16(31)20-15(30)9-17(36-24(20)21)13-5-7-14(29)8-6-13/h5-10,12,19,22-23,25-26,28-29,31-33H,4,11H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 22 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
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 |
|---|---|---|---|---|
| Trollius ledebouri | 46346 | Ranunculaceae | eudicotyledons | Viridiplantae |