KNApSAcK Metabolite C00012837
Metabolite
KNApSAcK Entry
| id | C00012837 |
|---|---|
| Name | Quadrangulin A / [1S-(1alpha,2beta,4abeta,8aalpha)]-Decahydro-1-hydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid methyl ester |
| CAS RN | 81373-87-7 |
| Standard InChI | InChI=1S/C16H24O3/c1-10-6-5-8-16(3)9-7-12(14(17)13(10)16)11(2)15(18)19-4/h12-14,17H,1-2,5-9H2,3-4H3/t12-,13+,14-,16+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C16H24O3/c1-10-6-5-8-16(3)9-7-12(14(17)13(10)16)11(2)15(18)19-4/h12-14,17H,1-2,5-9H2,3-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2827 |
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 |
|---|---|
| asterids | 2 |
Family
| family name | count |
|---|---|
| Asteraceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Eupatorium quadrangulare | 13516 | Asteraceae | asterids | Viridiplantae |
| Rudbeckia grandiflora | 52297 | Asteraceae | asterids | Viridiplantae |