CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: 4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-buten-2-one
Accession: CHEBI:110196
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Definition: A sesquiterpenoid that has formula C18H30O2.
Synonyms: related_synonym: Formula=C18H30O2; InChI=1S/C18H30O2/c1-13(19)7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)20/h7-8,14-15,20H,6,9-12H2,1-5H3/t14?,15-,17+,18-/m1/s1; InChIKey=SNUHZNCSBAQVJV-GLXGZUSZSA-N; SMILES=CC(=O)C=C[C@@H]1[C@]2(CCCC(C2CC[C@@]1(C)O)(C)C)C
xref: LINCS:LSM-21645
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Path 1
CHEBI ontology
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chemical entity
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atom
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nonmetal atom
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carbon atom
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organic molecular entity
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isoprenoid
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terpenoid
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sesquiterpenoid
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4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-buten-2-one
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Path 2
CHEBI ontology
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subatomic particle
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composite particle
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hadron
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baryon
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nucleon
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atomic nucleus
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atom
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main group element atom
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main group molecular entity
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s-block molecular entity
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hydrogen molecular entity
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hydrides
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organic hydride
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organic fundamental parent
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hydrocarbon
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terpene
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sesquiterpene
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sesquiterpenoid
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4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-buten-2-one
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