Cytosporone b
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Formula: C18H26O5
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Molecular weight: 322.40
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Smiles: CCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCC
Cytosporone b
Names
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Mycotoxin name: Cytosporone b
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First synonym: Cytosporone b
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Synonyms: CYTOSPORONE B,321661-62-5,Ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate,Csn-B,dothiorelone G,Csn-B;Dothiorelone G,ethyl 3,5-dihydroxy-2-(1-oxooctyl)-benzeneacetate,(3,5-Dihydroxy-2-octanoyl-phenyl)-acetic acid ethyl ester,ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate,Benzeneacetic acid, 3,5-dihydroxy-2-(1-oxooctyl)-, ethyl ester,GTPL5424,CHEMBL1221517,SCHEMBL14900697,CHEBI:95039,DTXSID80443557,3,5-Dihydroxy-2-(1-oxooctyl)benzeneacetic acid ethyl ester,HMS3740I13,AOB33768,BCP18389,Cytosporone B, >=98% (HPLC),EX-A4029,HY-N2148,WMA66162,BDBM50378798,MFCD12912406,ZINC43200202,AKOS027470187,CS-6882,AS-16748,S6674,W16910,A935069,J-018662,BRD-K86191271-001-01-9,Cytosporone-B; Csn-B; Dothiorelone G; Dothiorelone-G,Q27076966,E4L
Identifiers / External links
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CAS: 001-01-9,321661-62-5
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PubChem CID: 10687292
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DSS TOX CID: DTXCID80394378
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ChemSpiderID: 8862638
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ChEMBL: CHEMBL1221517,CHEMBL14900697
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Wikidata (wiki): Q27076966
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Chemical Entities of Biological Interest (CHEBI): CHEBI:95039
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CompTox Chemicals Dashboard (DTXSID): DTXSID80443557
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SCHEMBL: SCHEMBL14900697
Structure
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Smiles: CCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCC
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Isomeric smiles: CCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCC
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Inchi: InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
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Inchikey: UVVWQQKSNZLUQA-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H26O5
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Molecular weight: 322.40
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Monoisotopic mass: 322.17802393
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Fungi
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Fungi id Species 1054 Phomopsis sp. ZSU-H76