KNApSAcK Metabolite C00013153
Metabolite
KNApSAcK Entry
| id | C00013153 |
|---|---|
| Name | [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 4,5,10-triacetate 6-benzoate |
| CAS RN | 107602-74-4 |
| Standard InChI | InChI=1S/C30H38O12/c1-16(31)37-15-29-21(41-26(35)20-11-9-8-10-12-20)13-14-28(7,36)30(29)24(39-18(3)33)22(27(5,6)42-30)23(38-17(2)32)25(29)40-19(4)34/h8-12,21-25,36H,13-15H2,1-7H3 |
| Standard InChI (Main Layer) | InChI=1S/C30H38O12/c1-16(31)37-15-29-21(41-26(35)20-11-9-8-10-12-20)13-14-28(7,36)30(29)24(39-18(3)33)22(27(5,6)42-30)23(38-17(2)32)25(29)40-19(4)34/h8-12,21-25,36H,13-15H2,1-7H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 173 |
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 |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Celastraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Rzedowskia tolantonguensis | 123468 | Celastraceae | rosids | Viridiplantae |