Sequoiatone e
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Formula: C22H30O6
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Molecular weight: 390.50
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Smiles: CC1=C2C(=C(C(=CC(=O)C(C)CCCCCCO)C2(C)O)C(=O)OC)C=CO1
Sequoiatone e
Names
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Mycotoxin name: Sequoiatone e
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First synonym: Sequoiatone e
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Synonyms: Sequoiatone E,CHEMBL495444
Identifiers / External links
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CAS: 377047-97-7
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PubChem CID: 10872842
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ChEMBL: CHEMBL495444
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Chemical Entities of Biological Interest (CHEBI): CHEBI:219195
Structure
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Smiles: CC1=C2C(=C(C(=CC(=O)C(C)CCCCCCO)C2(C)O)C(=O)OC)C=CO1
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Isomeric smiles: CC1=C2C(=C(/C(=C\C(=O)[C@@H](C)CCCCCCO)/[C@@]2(C)O)C(=O)OC)C=CO1
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Inchi: InChI=1S/C22H30O6/c1-14(9-7-5-6-8-11-23)18(24)13-17-19(21(25)27-4)16-10-12-28-15(2)20(16)22(17,3)26/h10,12-14,23,26H,5-9,11H2,1-4H3/b17-13+/t14-,22+/m0/s1
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Inchikey: BJRVUWKADRHSIV-TVXHFNGESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H30O6
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Molecular weight: 390.50
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Monoisotopic mass: 390.20423867
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Fungi
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Fungi id Species 212 Aspergillus parasiticus RDWD1-2