loading...| Preferred Name |
ellagic acid |
|
| Synonyms |
2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione Ellagic acid acido elagico 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione acide ellagique ellagic acid acidum ellagicum 4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone benzoaric acid Ellagsaeure Lagistase |
|
| Definitions |
An organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4775 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:1579892 PMID:20034460 PMID:10999626 PMID:22626975 Chemspider:4445149 PMID:1111277 PMID:15659385 KNApSAcK:C00011153 PMID:23060566 PMID:23322372 PMID:23058930 PMID:16601672 MetaCyc:CPD-17769 PMID:11902978 PMID:12127243 KEGG:C10788 PMID:7644381 CAS:476-66-4 Beilstein:47549 PMID:19414254 PMID:25438234 PDBeChem:REF PMID:25980608 DrugBank:DB08846 PMID:17940513 PMID:22538930 PMID:32961204 PMID:16172180 FooDB:FDB012575 PMID:19015354 PMID:23092326 PMID:15309440 PMID:21922312 LINCS:LSM-36455 PMID:16317787 PMID:15936648 HMDB:HMDB0002899 PMID:17379263 PMID:22173652 PMID:10445164 Reaxys:47549 Wikipedia:Ellagic_acid PMID:21805983 PMID:18155344 PMID:19684079 |
|
| definition |
An organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. |
|
| formula |
C14H6O8 |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_76797 http://purl.obolibrary.org/obo/CHEBI_22586 http://purl.obolibrary.org/obo/CHEBI_84799 http://purl.obolibrary.org/obo/CHEBI_84804 http://purl.obolibrary.org/obo/CHEBI_50276 http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_50750 http://purl.obolibrary.org/obo/CHEBI_84801 http://purl.obolibrary.org/obo/CHEBI_59997 http://purl.obolibrary.org/obo/CHEBI_76946 http://purl.obolibrary.org/obo/CHEBI_85046 http://purl.obolibrary.org/obo/CHEBI_84802 http://purl.obolibrary.org/obo/CHEBI_64047 |
|
| has_exact_synonym |
2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione Ellagic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
acido elagico 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione acide ellagique ellagic acid acidum ellagicum 4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone benzoaric acid Ellagsaeure Lagistase |
|
| id |
CHEBI:4775 |
|
| in_subset | ||
| inchi |
InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H |
|
| inchikey |
AFSDNFLWKVMVRB-UHFFFAOYSA-N |
|
| label |
ellagic acid |
|
| mass |
302.194 |
|
| monoisotopicmass |
302.00627 |
|
| notation |
CHEBI:4775 |
|
| prefLabel |
ellagic acid |
|
| smiles |
OC1=CC2=C3C(OC(=O)C4=C3C(OC2=O)=C(O)C(O)=C4)=C1O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_33566 http://purl.obolibrary.org/obo/CHEBI_25000 http://purl.obolibrary.org/obo/CHEBI_3992 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33566 http://purl.obolibrary.org/obo/CHEBI_25000 http://purl.obolibrary.org/obo/CHEBI_3992 |