Aspergillide a
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Formula: C14H22O4
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Molecular weight: 254.32
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Smiles: CC1CCCC=CC2CCC(C(O2)CC(=O)O1)O
Aspergillide a
Names
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Mycotoxin name: Aspergillide a
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First synonym: Aspergillide a
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Synonyms: Aspergillide A,CHEBI:65450,(1R,5S,9E,11R,14S)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one,CHEMBL2407403,Q27133894,1113061-38-3
Identifiers / External links
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CAS: 1113061-38-3
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PubChem CID: 70678632
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ChemSpiderID: 27025973
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ChEMBL: CHEMBL2407403
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Wikidata (wiki): Q27133894
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Chemical Entities of Biological Interest (CHEBI): CHEBI:65450
Structure
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Smiles: CC1CCCC=CC2CCC(C(O2)CC(=O)O1)O
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Isomeric smiles: C[C@H]1CCC/C=C/[C@H]2CC[C@@H]([C@H](O2)CC(=O)O1)O
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Inchi: InChI=1S/C14H22O4/c1-10-5-3-2-4-6-11-7-8-12(15)13(18-11)9-14(16)17-10/h4,6,10-13,15H,2-3,5,7-9H2,1H3/b6-4+/t10-,11-,12-,13+/m0/s1
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Inchikey: FDJDTDDUDZAAFP-GDHSIMSHSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C14H22O4
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Molecular weight: 254.32
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Monoisotopic mass: 254.15180918
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Fungi
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Fungi id Species 201 Aspergillus ostianus