Epi-isochromophilone ii
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Formula: C22H27ClO4
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Molecular weight: 390.90
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Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C)(C)O)Cl
Epi-isochromophilone ii
Names
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Mycotoxin name: Epi-isochromophilone ii
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First synonym: Epi-isochromophilone ii
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Synonyms: epi-isochromophilone II,CHEMBL4276939,CHEBI:68700,Q27137121,(7R,8S)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-7,8-dihydro-6H-isochromen-6-one
Identifiers / External links
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CAS: 901309-50-0
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PubChem CID: 11661102
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ChemSpiderID: 9835837
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ChEMBL: CHEMBL4276939
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Wikidata (wiki): Q27137121
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Chemical Entities of Biological Interest (CHEBI): CHEBI:68700
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CompTox Chemicals Dashboard (DTXSID): DTXSID301314037
Structure
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Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C)(C)O)Cl
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Isomeric smiles: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]([C@H](C2=CO1)CC(=O)C)(C)O)Cl
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Inchi: InChI=1S/C22H27ClO4/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-27-16)19(10-15(4)24)22(5,26)21(25)20(17)23/h7-9,11-13,19,26H,6,10H2,1-5H3/b8-7+,14-9+/t13-,19-,22+/m0/s1
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Inchikey: QEPMTPAOVMUVBT-NJCRSHSXSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H27ClO4
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Molecular weight: 390.90
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Monoisotopic mass: 390.159787
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Fungi
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Fungi id Species 332 Chaetomium cupreum CC3003