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CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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<div><div class='d-flex align-items-center'> <span class="flag-icon flag-icon-gb"></span> <div class='ml-1'> English </div> </div> </div>
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ID
http://purl.obolibrary.org/obo/CHEBI_182050
http://purl.obolibrary.org/obo/CHEBI_182050
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_182050
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Preferred name
Pentalenolactone O
Synonyms
(1R,4aR,6aR,7S)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_37668
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rdfs:label
Pentalenolactone O
obo_purl:charge
0
obo_purl:formula
C15H18O6
obo_purl:inchi
InChI=1S/C15H18O6/c1-7-4-14-10(8(7)2)3-9(12(17)18)11(14)5-21-13(19)15(14,20)6-16/h3-4,8,10-11,16,20H,5-6H2,1-2H3,(H,17,18)/t8-,10-,11+,14?,15-/m1/s1
obo_purl:inchikey
FWDDYLWFBHUEKH-QXGHTHNXSA-N
obo_purl:mass
294.303
obo_purl:monoisotopicmass
294.11034
obo_purl:smiles
O1C[C@@]2(C3([C@@]([C@@H](C(=C3)C)C)(C=C2C(O)=O)[H])[C@](O)(C1=O)CO)[H]
oboinowl_gen:hasExactSynonym
(1R,4aR,6aR,7S)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
oboinowl_gen:hasDbXref
Chemspider:111323
oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:182050
skos:notation
CHEBI:182050
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#2_STAR
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