KNApSAcK Metabolite C00042031
Metabolite
KNApSAcK Entry
| id | C00042031 |
|---|---|
| Name | 10-Deacetyl-10-oxobaccatin III |
| CAS RN | 92950-45-3 |
| Standard InChI | InChI=1S/C29H34O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,22,24,31-32,36H,11-13H2,1-5H3/t17-,18-,19+,22-,24-,27+,28-,29+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C29H34O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,22,24,31-32,36H,11-13H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 49 |
|---|---|
| KCF-S cluster | No. 164 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL250045 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| Spermatophyta | 1 |
Family
| family name | count |
|---|---|
| Taxaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Taxus sumatrana | 450883 | Taxaceae | Spermatophyta | Viridiplantae |