Butyrolactone iii
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Formula: C24H24O8
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Molecular weight: 440.40
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Smiles: CC1(C(O1)CC2=C(C=CC(=C2)CC3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)O)C
Butyrolactone iii
Names
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Mycotoxin name: Butyrolactone iii
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First synonym: None
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Synonyms: Butyrolactone III,CHEMBL4287772,DTXSID501316322,87414-45-7
Identifiers / External links
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CAS: 87414-45-7
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PubChem CID: 10003354
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ChemSpiderID: 8178934
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ChEMBL: CHEMBL4287772
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CompTox Chemicals Dashboard (DTXSID): DTXSID501316322
Structure
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Smiles: CC1(C(O1)CC2=C(C=CC(=C2)CC3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)O)C
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Isomeric smiles: CC1(C(O1)CC2=C(C=CC(=C2)C[C@@]3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)O)C
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Inchi: InChI=1S/C24H24O8/c1-23(2)18(31-23)11-15-10-13(4-9-17(15)26)12-24(22(29)30-3)19(20(27)21(28)32-24)14-5-7-16(25)8-6-14/h4-10,18,25-27H,11-12H2,1-3H3/t18?,24-/m1/s1
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Inchikey: FWHAYHIGJSFGKO-VCUSLETLSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H24O8
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Molecular weight: 440.40
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Monoisotopic mass: 440.14711772
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Fungi
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Fungi id Species