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Biological and Environmental Research Ontology
| Preferred Name | oleuropein | |
| Synonyms |
2-(3,4-dihydroxyphenyl)ethyl (2S-(2alpha,3E,4beta))-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate [2S-(2alpha,3E,4beta)]-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid 2-(3,4-dihydroxyphenyl)ethyl ester methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate oleuropein |
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| Definitions |
A secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 3,4-dihydroxyphenethyl ester (the 2S,3E,4S stereoisomer). The most important phenolic compound present in olive cultivars. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7747 |
|
| alternative term |
2-(3,4-dihydroxyphenyl)ethyl (2S-(2alpha,3E,4beta))-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate [2S-(2alpha,3E,4beta)]-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid 2-(3,4-dihydroxyphenyl)ethyl ester methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate oleuropein
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| bearer of |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_68495 http://purl.obolibrary.org/obo/CHEBI_73240 http://purl.obolibrary.org/obo/CHEBI_35674 http://purl.obolibrary.org/obo/CHEBI_67079 |
|
| charge |
0
|
|
| database_cross_reference |
MetaCyc:CPD-17784 PMID:29128801 PMID:28468276 PMID:28407695 PMID:29160876 FooDB:FDB014653 PMID:28525856 PMID:28612982 PMID:28483880 PMID:29099642 PMID:28576392 PMID:28975102 PMID:28901273 PMID:28952621 PMID:28829122 Reaxys:72250 HMDB:HMDB0035872 KNApSAcK:C00003093 KEGG:C09794 PMID:28946190 PMID:28965580 PMID:28726915 PMID:4762397 Wikipedia:Oleuropein PMID:28672807 PMID:28491103 PMID:28764085 PMID:28711992 CAS:32619-42-4 PMID:28385187 PMID:29109370 PMID:22014168
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|
| definition |
A secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 3,4-dihydroxyphenethyl ester (the 2S,3E,4S stereoisomer). The most important phenolic compound present in olive cultivars.
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|
| formula |
C25H32O13
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|
| has_alternative_id |
CHEBI:68987
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|
| has_exact_synonym |
methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate oleuropein
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|
| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
2-(3,4-dihydroxyphenyl)ethyl (2S-(2alpha,3E,4beta))-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate [2S-(2alpha,3E,4beta)]-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid 2-(3,4-dihydroxyphenyl)ethyl ester
|
|
| id |
CHEBI:7747
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|
| in_subset | ||
| inchi |
InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1
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|
| inchikey |
RFWGABANNQMHMZ-ZCHJGGQASA-N
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|
| label |
oleuropein
|
|
| mass |
540.515
|
|
| monoisotopicmass |
540.18429
|
|
| notation |
CHEBI:7747
|
|
| prefLabel |
oleuropein
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|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_68495 http://purl.obolibrary.org/obo/CHEBI_73240 http://purl.obolibrary.org/obo/CHEBI_35674 http://purl.obolibrary.org/obo/CHEBI_67079 |
|
| smiles |
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2/C(/[C@](C(=CO2)C(=O)OC)([H])CC(=O)OCCC=3C=CC(=C(C3)O)O)=C/C
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26407 http://purl.obolibrary.org/obo/CHEBI_33566 http://purl.obolibrary.org/obo/CHEBI_51307 http://purl.obolibrary.org/obo/CHEBI_50274 |
| Delete | Subject | Author | Type | Created |
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