KNApSAcK Metabolite C00003509
Metabolite
KNApSAcK Entry
| id | C00003509 |
|---|---|
| Name | Cimicifugoside |
| CAS RN | 66176-93-0 |
| Standard InChI | InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23+,24-,25+,26+,27?,28+,29?,30?,32+,33-,34?,35-,36+,37?/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 82 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL1966457 |
KEGG
| By LinkDB | C08935 |
|---|
CTD
| By CAS RN | C031436 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 2 |
Family
| family name | count |
|---|---|
| Ranunculaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Cimicifuga simplex | 64042 | Ranunculaceae | eudicotyledons | Viridiplantae |
| Cimicifuga spp. | 46988 | Ranunculaceae | eudicotyledons | Viridiplantae |