KNApSAcK Metabolite C00026993
Metabolite
KNApSAcK Entry
| id | C00026993 |
|---|---|
| Name | 3'-Hydroxyepiglucoisatisin / (S)-3'-Hydroxyepiglucoisatisin |
| CAS RN | 398478-44-9 |
| Standard InChI | InChI=1S/C21H26N2O13S2/c1-2-10(34-15(25)8-21(30)11-5-3-4-6-12(11)22-20(21)29)7-14(23-36-38(31,32)33)37-19-18(28)17(27)16(26)13(9-24)35-19/h2-6,10,13,16-19,24,26-28,30H,1,7-9H2,(H,22,29)(H,31,32,33)/b23-14+/t10-,13+,16+,17-,18+,19-,21?/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H26N2O13S2/c1-2-10(34-15(25)8-21(30)11-5-3-4-6-12(11)22-20(21)29)7-14(23-36-38(31,32)33)37-19-18(28)17(27)16(26)13(9-24)35-19/h2-6,10,13,16-19,24,26-28,30H,1,7-9H2,(H,22,29)(H,31,32,33) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 3818 |
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 | 1 |
Family
| family name | count |
|---|---|
| Brassicaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Isatis tinctoria L | 161755 | Brassicaceae | rosids | Viridiplantae |