Trans-beta-bergamotene
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Formula: C15H24
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Molecular weight: 204.35
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Smiles: CC(=CCCC1(C2CCC(=C)C1C2)C)C
Trans-beta-bergamotene
Names
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Mycotoxin name: Trans-beta-bergamotene
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First synonym: Trans-beta-bergamotene
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Synonyms: trans-beta-bergamotene,.beta.-trans-Bergamotene,exo-beta-bergamotene,(E)-beta-bergamotene,(+)-exo-beta-bergamotene,UNII-2H330CKD1Z component DGZBGCMPRYFWFF-SOUVJXGZSA-N
Identifiers / External links
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CAS: 15438-94-5
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PubChem CID: 12300069
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US FDA (UNII): UNII-2H330CKD1Z,UNII-HUX3KW3H6H
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Chemical Entities of Biological Interest (CHEBI): CHEBI:193166
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CompTox Chemicals Dashboard (DTXSID): DTXSID701336982
Structure
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Smiles: CC(=CCCC1(C2CCC(=C)C1C2)C)C
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Isomeric smiles: CC(=CCC[C@@]1([C@H]2CCC(=C)[C@@H]1C2)C)C
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Inchi: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m0/s1
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Inchikey: DGZBGCMPRYFWFF-SOUVJXGZSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H24
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Molecular weight: 204.35
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Monoisotopic mass: 204.187800766
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Fungi
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Fungi id Species 134 Aspergillus fumigatus