Nidulalin a
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Formula: C16H14O6
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Molecular weight: 302.28
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Smiles: CC1=CC(=C2C(=C1)OC3(C(C=CC=C3C2=O)O)C(=O)OC)O
Nidulalin a
Names
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Mycotoxin name: Nidulalin a
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First synonym: Nidulalin a
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Synonyms: Nidulalin A,CHEMBL91382,CHEBI:66625,F390,methyl (4R,4aS)-4,8-dihydroxy-6-methyl-9-oxo-4,9-dihydro-4aH-xanthene-4a-carboxylate,MEGxm0_000109,BDBM50081427,Q27135244,(4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-xanthene-4a-carboxylic acid methyl ester,162901-86-2
Identifiers / External links
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CAS: 162901-86-2
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PubChem CID: 9926413
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ChemSpiderID: 8102047
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ChEMBL: CHEMBL91382
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Wikidata (wiki): Q27135244
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Chemical Entities of Biological Interest (CHEBI): CHEBI:66625
Structure
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Smiles: CC1=CC(=C2C(=C1)OC3(C(C=CC=C3C2=O)O)C(=O)OC)O
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Isomeric smiles: CC1=CC(=C2C(=C1)O[C@@]3([C@@H](C=CC=C3C2=O)O)C(=O)OC)O
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Inchi: InChI=1S/C16H14O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3-7,12,17-18H,1-2H3/t12-,16+/m1/s1
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Inchikey: BVPTZDRKEDPTOX-WBMJQRKESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H14O6
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Molecular weight: 302.28
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Monoisotopic mass: 302.07903816
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Fungi
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Fungi id Species 470 Emericella quadrilineata