KNApSAcK Metabolite C00030464
Metabolite
KNApSAcK Entry
| id | C00030464 |
|---|---|
| Name | Hedyotisol B |
| CAS RN | 95839-45-5 |
| Standard InChI | InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3 |
| Standard InChI (Main Layer) | InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 907 |
Link
ChEMBL
| By standard InChI | CHEMBL1761832 |
|---|---|
| By standard InChI Main Layer | CHEMBL388779 CHEMBL1761832 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Rhizophoraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Bruguiera sexangula var.rhynchopetala | 39983 | Rhizophoraceae | rosids | Viridiplantae |