KNApSAcK Metabolite C00004982
Metabolite
KNApSAcK Entry
| id | C00004982 |
|---|---|
| Name | Spinacetin 3-O-sulfate |
| CAS RN | 111348-30-2 |
| Standard InChI | InChI=1S/C17H14O11S/c1-25-10-5-7(3-4-8(10)18)15-17(28-29(22,23)24)14(21)12-11(27-15)6-9(19)16(26-2)13(12)20/h3-6,18-20H,1-2H3,(H,22,23,24) |
| Standard InChI (Main Layer) | InChI=1S/C17H14O11S/c1-25-10-5-7(3-4-8(10)18)15-17(28-29(22,23)24)14(21)12-11(27-15)6-9(19)16(26-2)13(12)20/h3-6,18-20H,1-2H3,(H,22,23,24) |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 51 |
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 |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Flaveria chloraefolia | 4228 | Asteraceae | asterids | Viridiplantae |