Aspergillide c
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Formula: C14H20O4
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Molecular weight: 252.31
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Smiles: CC1CCCC=CC2C=CC(C(O2)CC(=O)O1)O
Aspergillide c
Names
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Mycotoxin name: Aspergillide c
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First synonym: Aspergillide c
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Synonyms: Aspergillide C,(+)-asperigillide C,(1S,5S,9E,11S,14S)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadeca-9,12-dien-3-one,(+)-Aspergillide C,CHEBI:65452,Q27133896,1004769-38-3
Identifiers / External links
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CAS: 1004769-38-3
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PubChem CID: 24766620
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ChemSpiderID: 27023162
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Wikidata (wiki): Q27133896
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Chemical Entities of Biological Interest (CHEBI): CHEBI:65452
Structure
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Smiles: CC1CCCC=CC2C=CC(C(O2)CC(=O)O1)O
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Isomeric smiles: C[C@H]1CCC/C=C/[C@H]2C=C[C@@H]([C@@H](O2)CC(=O)O1)O
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Inchi: InChI=1S/C14H20O4/c1-10-5-3-2-4-6-11-7-8-12(15)13(18-11)9-14(16)17-10/h4,6-8,10-13,15H,2-3,5,9H2,1H3/b6-4+/t10-,11-,12-,13-/m0/s1
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Inchikey: LXBFWPWKVZPNRA-NPZYAQMBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C14H20O4
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Molecular weight: 252.31
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Monoisotopic mass: 252.13615911
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Fungi
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Fungi id Species 201 Aspergillus ostianus