Gibberellin a37
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Formula: C20H26O5
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Molecular weight: 346.40
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Smiles: CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)COC2=O)O
Gibberellin a37
Names
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Mycotoxin name: Gibberellin a37
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First synonym: Gibberellin a37
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Synonyms: Gibberellin A37,GA37,SCHEMBL20604705,CHEBI:29596,Q27104076,(1R,2R,5R,8R,9S,10S,11S,17S)-17-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1(5,8).0(1,10).0(2,8)]octadecane-9-carboxylic acid,2beta-hydroxy-1beta-methyl-8-methylidene-12-oxo-1alpha,4a-(methanooxymethano)-4aalpha,4bbeta-gibbane-10beta-carboxylic acid,38231-54-8
Identifiers / External links
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CAS: 38231-54-8
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PubChem CID: 14605568
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ChemSpiderID: 4574050
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ChEMBL: CHEMBL20604705
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Wikidata (wiki): Q27104076
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Chemical Entities of Biological Interest (CHEBI): CHEBI:29596
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CompTox Chemicals Dashboard (DTXSID): DTXSID001317032
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SCHEMBL: SCHEMBL20604705
Structure
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Smiles: CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)COC2=O)O
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Isomeric smiles: C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)COC2=O)O
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Inchi: InChI=1S/C20H26O5/c1-10-7-20-8-11(10)3-4-12(20)19-6-5-13(21)18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1
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Inchikey: QYXZQZMPZUEEML-SQLMURCQSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H26O5
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Molecular weight: 346.40
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Monoisotopic mass: 346.17802393
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Fungi
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Fungi id Species 587 Gibberella fujikuroi