KNApSAcK Metabolite C00009070
Metabolite
KNApSAcK Entry
| id | C00009070 |
|---|---|
| Name | Procyanidin B6 / Catechin-(4alpha->6)-catechin |
| CAS RN | 12798-58-2 |
| Standard InChI | InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29+,30+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2 |
Cluster
| Phytochemical cluster | No. 19 |
|---|---|
| KCF-S cluster | No. 16 |
Link
ChEMBL
| By standard InChI | CHEMBL502984 |
|---|---|
| By standard InChI Main Layer | CHEMBL506487 CHEMBL502984 CHEMBL451115 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 6 |
| Spermatophyta | 3 |
| asterids | 1 |
Family
| family name | count |
|---|---|
| Pinaceae | 3 |
| Rosaceae | 2 |
| Fagaceae | 1 |
| Betulaceae | 1 |
| Salicaceae | 1 |
| Ericaceae | 1 |
| Vitaceae | 1 |