KNApSAcK Metabolite C00032759
Metabolite
KNApSAcK Entry
| id | C00032759 |
|---|---|
| Name | Benzoyloxypaeoniflorin / Oxypaeoniflorin 6'-benzoate |
| CAS RN | 72896-40-3 |
| Standard InChI | InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/h2-10,18-22,25-26,31-34,37H,11-14H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27-,28+,29-,30+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/h2-10,18-22,25-26,31-34,37H,11-14H2,1H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1069 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL1077643 CHEMBL1079225 CHEMBL1079226 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Paeoniaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Paeonia suffruticosa ANDREWS | 45171 | Paeoniaceae | eudicotyledons | Viridiplantae |