KNApSAcK Metabolite C00040778
Metabolite
KNApSAcK Entry
| id | C00040778 |
|---|---|
| Name | 1-Acetyl-10-deacetylbaccatin III |
| CAS RN | 397250-04-3 |
| Standard InChI | InChI=1S/C34H30Cl6O14/c1-13-18-20(50-27(46)34(38,39)40)22(43)30(5)16(49-26(45)33(35,36)37)11-17-31(12-48-17,53-14(2)41)21(30)24(51-25(44)15-9-7-6-8-10-15)32(29(18,3)4)23(19(13)42)52-28(47)54-32/h6-10,16-17,20-21,23-24H,11-12H2,1-5H3/t16-,17+,20+,21-,23-,24-,30+,31-,32+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C34H30Cl6O14/c1-13-18-20(50-27(46)34(38,39)40)22(43)30(5)16(49-26(45)33(35,36)37)11-17-31(12-48-17,53-14(2)41)21(30)24(51-25(44)15-9-7-6-8-10-15)32(29(18,3)4)23(19(13)42)52-28(47)54-32/h6-10,16-17,20-21,23-24H,11-12H2,1-5H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 6329 |
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 |
|---|---|
| Spermatophyta | 2 |
Family
| family name | count |
|---|---|
| Taxaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Taxus canadensis | 88032 | Taxaceae | Spermatophyta | Viridiplantae |
| Taxus media | 85957 | Taxaceae | Spermatophyta | Viridiplantae |