loading...| Preferred Name |
aklanonic acid |
| Synonyms |
[4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetic acid 9,10-dioxo-9,10-dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-2-anthraceneacetic acid |
| Definitions |
An anthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 4 and 5, a carboxymethyl group at position 2 and a 3-oxopentanoyl group at position 3. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_31178 |
| charge |
0 |
| database_cross_reference |
PMID:3464736 Reaxys:8520433 PMID:9098068 KNApSAcK:C00017707 CAS:91432-47-2 KEGG:C12421 PMID:3862658 |
| definition |
An anthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 4 and 5, a carboxymethyl group at position 2 and a 3-oxopentanoyl group at position 3. |
| formula |
C21H16O8 |
| has_exact_synonym |
[4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetic acid |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
9,10-dioxo-9,10-dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-2-anthraceneacetic acid |
| id |
CHEBI:31178 |
| in_subset | |
| inchi |
InChI=1S/C21H16O8/c1-2-10(22)8-14(24)16-9(7-15(25)26)6-12-18(20(16)28)21(29)17-11(19(12)27)4-3-5-13(17)23/h3-6,23,28H,2,7-8H2,1H3,(H,25,26) |
| inchikey |
OSKHFTHBEFJNCM-UHFFFAOYSA-N |
| is conjugate acid of | |
| label |
aklanonic acid |
| mass |
396.34690 |
| monoisotopicmass |
396.08452 |
| notation |
CHEBI:31178 |
| prefLabel |
aklanonic acid |
| smiles |
CCC(=O)CC(=O)c1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1CC(O)=O |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_37484 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37484 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C042374 | Medical Subject Headings / 医学主题词表 | LOOM |