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Ontologies
CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_68412
http://purl.obolibrary.org/obo/CHEBI_68412
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_68412
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Preferred name
plakortolide O
Synonyms
(3S,4aR,7aR)-3,4a-dimethyl-3-[(9E,11E)-12-phenyldodeca-9,11-dien-1-yl]tetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one
Definitions
An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
[H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCCC=C\C=C\c1ccccc1)OO2
obo_purl:charge
0
obo_purl:inchikey
KEKDEOVVWKTZKA-XRXSLGMHSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
oboinowl_gen:hasDbXref
Reaxys:21309199
PMID:21261297
obo_purl:IAO_0000115
An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
skos:notation
CHEBI:68412
oboinowl_gen:hasExactSynonym
(3S,4aR,7aR)-3,4a-dimethyl-3-[(9E,11E)-12-phenyldodeca-9,11-dien-1-yl]tetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one
obo_purl:mass
412.56160
obo_purl:inchi
InChI=1S/C26H36O4/c1-25(21-26(2)23(29-30-25)20-24(27)28-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h7,9,11-14,16-18,23H,3-6,8,10,15,19-21H2,1-2H3/b9-7+,16-12+/t23-,25+,26-/m1/s1
obo_purl:formula
C26H36O4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id
CHEBI:68412
rdfs:label
plakortolide O
obo_purl:monoisotopicmass
412.26136
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_27171
http://purl.obolibrary.org/obo/CHEBI_37581
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