Nigrospoxydon a
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Formula: C22H28O8
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Molecular weight: 420.50
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Smiles: CC1=CC(=O)CC(C1(C=CC(=CC(=O)OC2C(C(C=C(C2=O)CO)O)O)C)O)(C)C
Nigrospoxydon a
Names
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Mycotoxin name: Nigrospoxydon a
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First synonym: Nigrospoxydon a
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Synonyms: nigrospoxydon A,CHEMBL526455
Identifiers / External links
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CAS: 1040744-00-0
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PubChem CID: 25016662
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ChemSpiderID: 24720733
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ChEMBL: CHEMBL526455
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Chemical Entities of Biological Interest (CHEBI): CHEBI:219533
Structure
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Smiles: CC1=CC(=O)CC(C1(C=CC(=CC(=O)OC2C(C(C=C(C2=O)CO)O)O)C)O)(C)C
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Isomeric smiles: CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O[C@@H]2[C@H]([C@@H](C=C(C2=O)CO)O)O)/C)O)(C)C
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Inchi: InChI=1S/C22H28O8/c1-12(5-6-22(29)13(2)8-15(24)10-21(22,3)4)7-17(26)30-20-18(27)14(11-23)9-16(25)19(20)28/h5-9,16,19-20,23,25,28-29H,10-11H2,1-4H3/b6-5+,12-7-/t16-,19+,20+,22-/m1/s1
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Inchikey: DMBDZHVALRXOEF-OQNJJOTNSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H28O8
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Molecular weight: 420.50
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Monoisotopic mass: 420.17841785
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Fungi
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Fungi id Species 699 Nigrospora sp. PSU-F5