Atranone c
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Formula: C24H32O6
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Molecular weight: 416.50
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Smiles: CC1=C2C3C(C(=O)O2)C(OC3C(=CCC4=C(CC(=O)OC4(CC1)C)C(C)C)C)(C)O
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Type: Diterpenoid (Atranone)
Atranone c
Names
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Mycotoxin name: Atranone c
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First synonym: Atranone c
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Synonyms: Atranone C,(1R,4E,8R,9S,11S,12Z)-1,4,9,12-Tetramethyl-5,8,11-[(S)-methanetriyl]-9-hydroxy-16-isopropyl-6,10,19-trioxabicyclo[13.4.0]nonadecane-4,12,15-triene-7,18-dione
Identifiers / External links
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CAS: 227597-63-9
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PubChem CID: 15432359
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ChemSpiderID: 78440296
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Chemical Entities of Biological Interest (CHEBI): CHEBI:223112
Structure
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Smiles: CC1=C2C3C(C(=O)O2)C(OC3C(=CCC4=C(CC(=O)OC4(CC1)C)C(C)C)C)(C)O
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Isomeric smiles: C/C/1=C\2/[C@H]3[C@@H](C(=O)O2)[C@@](O[C@@H]3/C(=C\CC4=C(CC(=O)O[C@@]4(CC1)C)C(C)C)/C)(C)O
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Inchi: InChI=1S/C24H32O6/c1-12(2)15-11-17(25)29-23(5)10-9-14(4)20-18-19(22(26)28-20)24(6,27)30-21(18)13(3)7-8-16(15)23/h7,12,18-19,21,27H,8-11H2,1-6H3/b13-7-,20-14+/t18-,19+,21-,23-,24+/m1/s1
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Inchikey: YAEXNKPEJYCROB-RDIKRESBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H32O6
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Molecular weight: 416.50
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Monoisotopic mass: 416.21988874
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Fungi
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Fungi id Species 1090 Stachybotrys chartarum