Nigrospoxydon b
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Formula: C23H30O9
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Molecular weight: 450.50
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Smiles: CC(C)CC(C(=O)OC1C(C(C=C(C1=O)CO)O)O)OC(CC2=CC=CC=C2)C(=O)OC
Nigrospoxydon b
Names
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Mycotoxin name: Nigrospoxydon b
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First synonym: Nigrospoxydon b
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Synonyms: nigrospoxydon B,CHEMBL498693
Identifiers / External links
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CAS: 1040744-01-1
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PubChem CID: 25016663
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ChemSpiderID: 24709506
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ChEMBL: CHEMBL498693
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Chemical Entities of Biological Interest (CHEBI): CHEBI:211825
Structure
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Smiles: CC(C)CC(C(=O)OC1C(C(C=C(C1=O)CO)O)O)OC(CC2=CC=CC=C2)C(=O)OC
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Isomeric smiles: CC(C)CC(C(=O)O[C@@H]1[C@H]([C@@H](C=C(C1=O)CO)O)O)OC(CC2=CC=CC=C2)C(=O)OC
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Inchi: InChI=1S/C23H30O9/c1-13(2)9-17(31-18(22(28)30-3)10-14-7-5-4-6-8-14)23(29)32-21-19(26)15(12-24)11-16(25)20(21)27/h4-8,11,13,16-18,20-21,24-25,27H,9-10,12H2,1-3H3/t16-,17?,18?,20+,21+/m1/s1
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Inchikey: WKPWSSVSBBBVAQ-VWHSNLPJSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H30O9
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Molecular weight: 450.50
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Monoisotopic mass: 450.18898253
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Fungi
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Fungi id Species 699 Nigrospora sp. PSU-F5