LL-Z1640-1
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Formula: C19H24O7
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Molecular weight: 364.40
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Smiles: CC1CCCC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O
LL-Z1640-1
Names
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Mycotoxin name: LL-Z1640-1
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First synonym: None
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Synonyms: dihydroxymethylzearalenone,CHEMBL1801951,CHEBI:67866,LL-Z1640-1,MLS003373237,SCHEMBL18290212,BDBM50347546,SMR002047994,Q27136342,(4S,9S,10S,12E)-9,10,18-Trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
Identifiers / External links
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PubChem CID: 9863860
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ChemSpiderID: 7974826
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ChEMBL: CHEMBL18290212,CHEMBL1801951
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Wikidata (wiki): Q27136342
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Chemical Entities of Biological Interest (CHEBI): CHEBI:67866
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SCHEMBL: SCHEMBL18290212
Structure
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Smiles: CC1CCCC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O
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Isomeric smiles: C[C@H]1CCCC(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O
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Inchi: InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/m0/s1
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Inchikey: WFIUAGOQGGAREU-XZUJVHTDSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H24O7
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Molecular weight: 364.40
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Monoisotopic mass: 364.1522031
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Fungi
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Fungi id Species