KNApSAcK Metabolite C00041275
Metabolite
KNApSAcK Entry
| id | C00041275 |
|---|---|
| Name | 3'-O-beta-D-glucopyranosylcalactin / (+)-3'-O-beta-D-glucopyranosylcalactin |
| CAS RN | 912539-80-1 |
| Standard InChI | InChI=1S/C35H50O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h10,15-16,18-25,27-31,36,39-43H,3-9,11-14H2,1-2H3/t16-,18+,19-,20+,21-,22-,23-,24-,25-,27-,28+,29-,30+,31+,32-,33-,34+,35+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C35H50O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h10,15-16,18-25,27-31,36,39-43H,3-9,11-14H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 56 |
|---|---|
| KCF-S cluster | No. 272 |
Link
ChEMBL
| By standard InChI | CHEMBL508988 |
|---|---|
| By standard InChI Main Layer | CHEMBL508988 CHEMBL555674 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Apocynaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Pergularia tomentosa | 264979 | Apocynaceae | asterids | Viridiplantae |