KNApSAcK Metabolite C00009084
Metabolite
KNApSAcK Entry
| id | C00009084 |
|---|---|
| Name | [Epicatechin-(4beta->6)]2-epicatechin |
| CAS RN | 101401-64-3 |
| Standard InChI | InChI=1S/C45H38O18/c46-18-10-26(53)33-31(11-18)62-44(16-2-5-21(48)24(51)8-16)41(59)37(33)35-28(55)14-32-36(40(35)58)38(42(60)45(63-32)17-3-6-22(49)25(52)9-17)34-27(54)13-30-19(39(34)57)12-29(56)43(61-30)15-1-4-20(47)23(50)7-15/h1-11,13-14,29,37-38,41-60H,12H2/t29-,37-,38+,41-,42-,43-,44-,45-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C45H38O18/c46-18-10-26(53)33-31(11-18)62-44(16-2-5-21(48)24(51)8-16)41(59)37(33)35-28(55)14-32-36(40(35)58)38(42(60)45(63-32)17-3-6-22(49)25(52)9-17)34-27(54)13-30-19(39(34)57)12-29(56)43(61-30)15-1-4-20(47)23(50)7-15/h1-11,13-14,29,37-38,41-60H,12H2 |
Cluster
| Phytochemical cluster | No. 19 |
|---|---|
| KCF-S cluster | No. 29 |
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 |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Hippocastanaceae | 1 |
| Rhizophoraceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aesculus hippocastanum | 43364 | Hippocastanaceae | rosids | Viridiplantae |
| Kandelia candel | 61147 | Rhizophoraceae | rosids | Viridiplantae |