Citrinin hydrate
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Formula: C13H16O6
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Molecular weight: 268.26
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Smiles: CC1C(OC(C2=C(C(=C(C(=C12)C)O)C(=O)O)O)O)C
Citrinin hydrate
Names
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Mycotoxin name: Citrinin hydrate
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First synonym: Citrinin hydrate
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Synonyms: Citrinin hydrate,157643-56-6,Q63409604,Ctrinin hydrate,(1s,3r,4s)-1,6,8-trihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-isochromene-7-carboxylic acid,DTXSID80166299,3,4-Dihydro-1,6,8-trihydroxy-3,4,5-trimethyl-1H-2-benzopyran-7-carboxylic acid,(1S)-1beta,6,8-Trihydroxy-3alpha,4beta,5-trimethyl-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
Identifiers / External links
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CAS: 157643-56-6
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PubChem CID: 190886
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ChemSpiderID: 19992816
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Wikidata (wiki): Q63409604
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CompTox Chemicals Dashboard (DTXSID): DTXSID80166299
Structure
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Smiles: CC1C(OC(C2=C(C(=C(C(=C12)C)O)C(=O)O)O)O)C
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Isomeric smiles: C[C@@H]1[C@H](O[C@@H](C2=C(C(=C(C(=C12)C)O)C(=O)O)O)O)C
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Inchi: InChI=1S/C13H16O6/c1-4-6(3)19-13(18)8-7(4)5(2)10(14)9(11(8)15)12(16)17/h4,6,13-15,18H,1-3H3,(H,16,17)/t4-,6-,13+/m1/s1
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Inchikey: MBTAFMZUDOUGPS-CGKQSRJASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C13H16O6
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Molecular weight: 268.26
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Monoisotopic mass: 268.09468823
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Fungi
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Fungi id Species 932 Penicillium sp. AB 2089ZZD-62(NRRL 22560)