KNApSAcK Metabolite C00035378
Metabolite
KNApSAcK Entry
| id | C00035378 |
|---|---|
| Name | Punicalagin |
| CAS RN | 65995-63-3 |
| Standard InChI | InChI=1S/C48H28O30/c49-5-16-40(76-46(70)9-3-13(52)28(56)32(60)18(9)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)7-1-11(50)29(57)33(61)19(7)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)20-10(45(69)75-39)4-14(53)30(58)34(20)62/h1-5,15-16,39-40,50-66H,6H2 |
| Standard InChI (Main Layer) | InChI=1S/C48H28O30/c49-5-16-40(76-46(70)9-3-13(52)28(56)32(60)18(9)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)7-1-11(50)29(57)33(61)19(7)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)20-10(45(69)75-39)4-14(53)30(58)34(20)62/h1-5,15-16,39-40,50-66H,6H2 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 142 |
Link
ChEMBL
| By standard InChI | CHEMBL1984101 |
|---|---|
| By standard InChI Main Layer | CHEMBL1984101 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C115642 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Lythraceae | 1 |
| Combretaceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Punica granatum | 22663 | Lythraceae | rosids | Viridiplantae |
| Terminalia oblongata | 39992 | Combretaceae | rosids | Viridiplantae |