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CHEBI:71225 - (−)-gallocatechin
| Formula | C15H14O7 |
| Net Charge | 0 |
| Average Mass | 306.270 |
| Monoisotopic Mass | 306.07395 |
| SMILES | Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2 |
| InChI | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1 |
| InChIKey | XMOCLSLCDHWDHP-DOMZBBRYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. radical scavenger A role played by a substance that can react readily with, and thereby eliminate, radicals. |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (−)-gallocatechin (CHEBI:71225) has role antioxidant (CHEBI:22586) |
| (−)-gallocatechin (CHEBI:71225) has role metabolite (CHEBI:25212) |
| (−)-gallocatechin (CHEBI:71225) has role radical scavenger (CHEBI:48578) |
| (−)-gallocatechin (CHEBI:71225) is a gallocatechin (CHEBI:68330) |
| (−)-gallocatechin (CHEBI:71225) is enantiomer of (+)-gallocatechin (CHEBI:31018) |
| Incoming Relation(s) |
| (−)-gallocatechin gallate (CHEBI:156271) has functional parent (−)-gallocatechin (CHEBI:71225) |
| (+)-gallocatechin (CHEBI:31018) is enantiomer of (−)-gallocatechin (CHEBI:71225) |
| IUPAC Name |
|---|
| (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Synonyms | Source |
|---|---|
| ent-gallocatechin | ChEBI |
| (2S,3R)-flavan-3,5,7,3',4',5'-hexol | ChEBI |
| (2S,3R)-(−)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | ChEBI |
| (2S,3R)-gallocatechin | ChEBI |
| (2S,3R)-flavan-3,3',4',5,5',7-hexol | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| Gallocatechol | Wikipedia |
| 8058656 | ChemSpider |