KNApSAcK Metabolite C00045045
Metabolite
KNApSAcK Entry
| id | C00045045 |
|---|---|
| Name | Robustanic acid / 3beta-Hydroxy-11alpha-methoxyurs-12-en-28-oic acid |
| CAS RN | 422308-58-5 |
| Standard InChI | InChI=1S/C31H50O4/c1-18-9-14-31(26(33)34)16-15-29(6)20(24(31)19(18)2)17-21(35-8)25-28(5)12-11-23(32)27(3,4)22(28)10-13-30(25,29)7/h17-19,21-25,32H,9-16H2,1-8H3,(H,33,34)/t18-,19+,21-,22+,23+,24+,25-,28+,29-,30-,31+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C31H50O4/c1-18-9-14-31(26(33)34)16-15-29(6)20(24(31)19(18)2)17-21(35-8)25-28(5)12-11-23(32)27(3,4)22(28)10-13-30(25,29)7/h17-19,21-25,32H,9-16H2,1-8H3,(H,33,34) |
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 |
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Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Pentaphylacaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Ternstroemia gymnanthera | 107827 | Pentaphylacaceae | asterids | Viridiplantae |