Atranone d
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Formula: C24H34O4
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Molecular weight: 386.50
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Smiles: CC1=CC2C(C(=O)OC2=C(CCC3(C(CC1)C(=CC3=O)C(C)C)C)C)C(C)O
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Type: Diterpenoid (Atranone)
Atranone d
Names
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Mycotoxin name: Atranone d
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First synonym: Atranone d
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Synonyms: Atranone D,227597-64-0
Identifiers / External links
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CAS: 227597-64-0
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PubChem CID: 100987182
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ChemSpiderID: 78440138
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Chemical Entities of Biological Interest (CHEBI): CHEBI:202544
Structure
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Smiles: CC1=CC2C(C(=O)OC2=C(CCC3(C(CC1)C(=CC3=O)C(C)C)C)C)C(C)O
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Isomeric smiles: C/C/1=C\[C@H]\2[C@@H](C(=O)O/C2=C(/CC[C@]3([C@H](CC1)C(=CC3=O)C(C)C)C)\C)[C@H](C)O
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Inchi: InChI=1S/C24H34O4/c1-13(2)17-12-20(26)24(6)10-9-15(4)22-18(11-14(3)7-8-19(17)24)21(16(5)25)23(27)28-22/h11-13,16,18-19,21,25H,7-10H2,1-6H3/b14-11+,22-15+/t16-,18-,19+,21-,24-/m0/s1
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Inchikey: CCMBGMOYVQDEBC-FNRNNEDTSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H34O4
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Molecular weight: 386.50
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Monoisotopic mass: 386.24570956
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Fungi
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Fungi id Species 1090 Stachybotrys chartarum