KNApSAcK Metabolite C00006334
Metabolite
KNApSAcK Entry
| id | C00006334 |
|---|---|
| Name | Isoscoparin 2''-(6-(E)-p-coumaroylglucoside) |
| CAS RN | 99445-33-7 |
| Standard InChI | InChI=1S/C37H38O18/c1-50-22-10-16(5-8-18(22)40)21-11-19(41)27-23(52-21)12-20(42)28(31(27)46)35-36(33(48)29(44)24(13-38)53-35)55-37-34(49)32(47)30(45)25(54-37)14-51-26(43)9-4-15-2-6-17(39)7-3-15/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-4+/t24?,25?,29-,30-,32?,33+,34?,35+,36?,37+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C37H38O18/c1-50-22-10-16(5-8-18(22)40)21-11-19(41)27-23(52-21)12-20(42)28(31(27)46)35-36(33(48)29(44)24(13-38)53-35)55-37-34(49)32(47)30(45)25(54-37)14-51-26(43)9-4-15-2-6-17(39)7-3-15/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 7 |
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 |
| Liliopsida | 1 |
Family
| family name | count |
|---|---|
| Cucurbitaceae | 1 |
| Poaceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Cucumis sativus | 3659 | Cucurbitaceae | rosids | Viridiplantae |
| Oryza sativa | 4530 | Poaceae | Liliopsida | Viridiplantae |