KNApSAcK Metabolite C00006413
Metabolite
KNApSAcK Entry
| id | C00006413 |
|---|---|
| Name | Isoschaftoside 2'''-ferulate |
| CAS RN | 80754-94-5 |
| Standard InChI | InChI=1S/C36H36O17/c1-49-21-10-14(2-8-17(21)39)3-9-23(42)53-36-32(48)28(44)22(12-37)52-35(36)26-30(46)25(34-31(47)27(43)19(41)13-50-34)29(45)24-18(40)11-20(51-33(24)26)15-4-6-16(38)7-5-15/h2-11,19,22,27-28,31-32,34-39,41,43-48H,12-13H2,1H3/b9-3+/t19-,22?,27-,28+,31?,32-,34-,35-,36?/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C36H36O17/c1-49-21-10-14(2-8-17(21)39)3-9-23(42)53-36-32(48)28(44)22(12-37)52-35(36)26-30(46)25(34-31(47)27(43)19(41)13-50-34)29(45)24-18(40)11-20(51-33(24)26)15-4-6-16(38)7-5-15/h2-11,19,22,27-28,31-32,34-39,41,43-48H,12-13H2,1H3 |
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 |
|---|---|
| Embryophyta | 2 |
Family
| family name | count |
|---|---|
| Metzgeriaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Apometzgeria pubescens | 357979 | Metzgeriaceae | Embryophyta | Viridiplantae |
| Metzgeria sp. | 37398 | Metzgeriaceae | Embryophyta | Viridiplantae |