KNApSAcK Metabolite C00039663
Metabolite
KNApSAcK Entry
| id | C00039663 |
|---|---|
| Name | Lup-20(29)en-28-al-3beta-yl caffeate / (+)-Lup-20(29)en-28-al-3beta-yl caffeate |
| CAS RN | 244203-72-3 |
| Standard InChI | InChI=1S/C39H54O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22-23,26-27,30-32,34,41-42H,1,10,12,14-21H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C39H54O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22-23,26-27,30-32,34,41-42H,1,10,12,14-21H2,2-7H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 78 |
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 |
|---|---|---|---|---|
| Celastrus stehanotifolius | 85180 | Celastraceae | rosids | Viridiplantae |