KNApSAcK Metabolite C00049070
Metabolite
KNApSAcK Entry
| id | C00049070 |
|---|---|
| Name | 1alpha,2alpha,3beta,30-Tetrahydroxyurs-12-ene |
| CAS RN | 209343-87-3 |
| Standard InChI | InChI=1S/C30H50O4/c1-17-18(16-31)10-12-27(4)14-15-28(5)19(22(17)27)8-9-21-29(28,6)13-11-20-26(2,3)24(33)23(32)25(34)30(20,21)7/h8,17-18,20-25,31-34H,9-16H2,1-7H3/t17-,18-,20-,21-,22-,23-,24-,25-,27+,28+,29+,30-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H50O4/c1-17-18(16-31)10-12-27(4)14-15-28(5)19(22(17)27)8-9-21-29(28,6)13-11-20-26(2,3)24(33)23(32)25(34)30(20,21)7/h8,17-18,20-25,31-34H,9-16H2,1-7H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 13 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
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 neurotheca | 21496 | Gentianaceae | asterids | Viridiplantae |