Epicoccin d
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Formula: C18H18N2O6S2
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Molecular weight: 422.50
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Smiles: C1C2C(C3C(C1=O)CC4(N3C(=O)C56CC7C(N5C4=O)C(C(S6)CC7=O)O)S2)O
Epicoccin d
Names
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Mycotoxin name: Epicoccin d
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First synonym: Epicoccin d
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Synonyms: epicoccin D
Identifiers / External links
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CAS: 952585-67-0
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PubChem CID: 23642609
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ChemSpiderID: 23310937
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Chemical Entities of Biological Interest (CHEBI): CHEBI:202339
Structure
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Smiles: C1C2C(C3C(C1=O)CC4(N3C(=O)C56CC7C(N5C4=O)C(C(S6)CC7=O)O)S2)O
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Isomeric smiles: C1[C@@H]2[C@@H]([C@@H]3[C@H](C1=O)C[C@@]4(N3C(=O)[C@]56C[C@@H]7[C@H](N5C4=O)[C@H]([C@H](S6)CC7=O)O)S2)O
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Inchi: InChI=1S/C18H18N2O6S2/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)28-10(14(12)24)2-8(6)22/h5-6,9-14,23-24H,1-4H2/t5-,6-,9+,10+,11-,12-,13-,14-,17+,18+/m0/s1
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Inchikey: KFDSXBGPHVNSIT-DXOBHMFTSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H18N2O6S2
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Molecular weight: 422.50
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Monoisotopic mass: 422.06062865
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Fungi
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Fungi id Species 500 Epicoccum nigrum