Sequoiatone d
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Formula: C22H30O6
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Molecular weight: 390.50
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Smiles: CC1=CC2=C(C(=CC(=O)C(C)CCCCCCO)C(C2=CO1)(C)O)C(=O)OC
Sequoiatone d
Names
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Mycotoxin name: Sequoiatone d
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First synonym: Sequoiatone d
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Synonyms: Sequoiatone D,CHEMBL495443
Identifiers / External links
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CAS: 377047-96-6
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PubChem CID: 10883657
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ChEMBL: CHEMBL495443
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Chemical Entities of Biological Interest (CHEBI): CHEBI:207600
Structure
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Smiles: CC1=CC2=C(C(=CC(=O)C(C)CCCCCCO)C(C2=CO1)(C)O)C(=O)OC
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Isomeric smiles: CC1=CC2=C(/C(=C\C(=O)[C@@H](C)CCCCCCO)/[C@@](C2=CO1)(C)O)C(=O)OC
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Inchi: InChI=1S/C22H30O6/c1-14(9-7-5-6-8-10-23)19(24)12-17-20(21(25)27-4)16-11-15(2)28-13-18(16)22(17,3)26/h11-14,23,26H,5-10H2,1-4H3/b17-12+/t14-,22+/m0/s1
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Inchikey: WGHKHGDABDZHGB-JVEVTSHPSA-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