Chlorocylindrocarpol
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Formula: C23H33ClO5
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Molecular weight: 425.00
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Smiles: CC1=C(C(=C(C(=C1Cl)O)CC=C(C)CCC=C(C)CCC(C(C)(C)O)O)O)C=O
Chlorocylindrocarpol
Names
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Mycotoxin name: Chlorocylindrocarpol
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First synonym: Chlorocylindrocarpol
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Synonyms: Chlorocylindrocarpol,SCHEMBL22848763
Identifiers / External links
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CAS: 1114927-87-5
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PubChem CID: 25243464
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ChemSpiderID: 27023948
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ChEMBL: CHEMBL4846020,CHEMBL22848763
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Chemical Entities of Biological Interest (CHEBI): CHEBI:221343
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SCHEMBL: SCHEMBL22848763
Structure
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Smiles: CC1=C(C(=C(C(=C1Cl)O)CC=C(C)CCC=C(C)CCC(C(C)(C)O)O)O)C=O
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Isomeric smiles: CC1=C(C(=C(C(=C1Cl)O)C/C=C(\C)/CC/C=C(\C)/CC[C@@H](C(C)(C)O)O)O)C=O
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Inchi: InChI=1S/C23H33ClO5/c1-14(7-6-8-15(2)10-12-19(26)23(4,5)29)9-11-17-21(27)18(13-25)16(3)20(24)22(17)28/h8-9,13,19,26-29H,6-7,10-12H2,1-5H3/b14-9+,15-8+/t19-/m0/s1
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Inchikey: DVURAWKKNXOYHO-LHDPSMIPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H33ClO5
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Molecular weight: 425.00
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Monoisotopic mass: 424.2016518
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Fungi
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Fungi id Species 12 Acremonium sp.