Atranone g
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Formula: C25H34O8
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Molecular weight: 462.50
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Smiles: CC1=C2C(CC(=O)O2)(C(C(=CCC3C(=C(C(=O)OC3(CC1)C)OC)C(C)C)C)OC(=O)C)O
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Type: Diterpenoid (Atranone)
Atranone g
Names
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Mycotoxin name: Atranone g
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First synonym: Atranone g
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Synonyms: Atranone G,327993-00-0
Identifiers / External links
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CAS: 327993-00-0
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PubChem CID: 643671
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ChemSpiderID: 558789
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Chemical Entities of Biological Interest (CHEBI): CHEBI:207062
Structure
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Smiles: CC1=C2C(CC(=O)O2)(C(C(=CCC3C(=C(C(=O)OC3(CC1)C)OC)C(C)C)C)OC(=O)C)O
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Isomeric smiles: C/C/1=C\2/[C@](CC(=O)O2)(C(/C(=C\C[C@@H]3C(=C(C(=O)O[C@]3(CC1)C)OC)C(C)C)/C)OC(=O)C)O
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Inchi: InChI=1S/C25H34O8/c1-13(2)19-17-9-8-14(3)21(31-16(5)26)25(29)12-18(27)32-22(25)15(4)10-11-24(17,6)33-23(28)20(19)30-7/h8,13,17,21,29H,9-12H2,1-7H3/b14-8-,22-15+/t17-,21?,24+,25+/m1/s1
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Inchikey: WSJAHUXFDVXVRY-GSSRFQNSSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H34O8
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Molecular weight: 462.50
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Monoisotopic mass: 462.22536804
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Fungi
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Fungi id Species 1090 Stachybotrys chartarum