dihydrocompactin
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Formula: C23H36O5
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Molecular weight: 392.50
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Smiles: CCC(C)C(=O)OC1CCCC2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O
dihydrocompactin
Names
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Mycotoxin name: dihydrocompactin
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First synonym: (+)-dihydrocompactin
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Synonyms: (+)-Dihydrocompactin,ZINC31543310
Identifiers / External links
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CAS: 78366-44-6
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PubChem CID: 11303936
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ChemSpiderID: 169942
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ChEMBL: CHEMBL4434508
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CompTox Chemicals Dashboard (DTXSID): DTXSID70999699
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SCHEMBL: SCHEMBL4434508
Structure
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Smiles: CCC(C)C(=O)OC1CCCC2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O
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Isomeric smiles: CC[C@H](C)C(=O)O[C@H]1CCC[C@H]2C1C(C(C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O
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Inchi: InChI=1S/C23H36O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h8-9,14-20,22,24H,4-7,10-13H2,1-3H3/t14-,15?,16+,17+,18+,19?,20-,22?/m0/s1
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Inchikey: VXDSGTRNDFHIJB-QQPOVDNESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H36O5
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Molecular weight: 392.50
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Monoisotopic mass: 392.25627424
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Fungi
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Fungi id Species 773 Penicillium citrinum SANK 18767