Acremolide a
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Formula: C28H42N2O6
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Molecular weight: 502.60
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Smiles: CC1C(CC(OC(=O)C2CCCN2C(=O)C(NC1=O)CC3=CC=CC=C3)C(C)CCCCC(C)O)O
Acremolide a
Names
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Mycotoxin name: Acremolide a
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First synonym: Acremolide a
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Synonyms: ACREMOLIDE A,CHEMBL402156
Identifiers / External links
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CAS: 1015236-22-2
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PubChem CID: 24853878
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ChemSpiderID: 27023308
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ChEMBL: CHEMBL402156
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Chemical Entities of Biological Interest (CHEBI): CHEBI:189363
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CompTox Chemicals Dashboard (DTXSID): DTXSID001100732
Structure
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Smiles: CC1C(CC(OC(=O)C2CCCN2C(=O)C(NC1=O)CC3=CC=CC=C3)C(C)CCCCC(C)O)O
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Isomeric smiles: CC1C(CC(OC(=O)[C@@H]2CCCN2C(=O)[C@H](NC1=O)CC3=CC=CC=C3)C(C)CCCCC(C)O)O
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Inchi: InChI=1S/C28H42N2O6/c1-18(10-7-8-11-19(2)31)25-17-24(32)20(3)26(33)29-22(16-21-12-5-4-6-13-21)27(34)30-15-9-14-23(30)28(35)36-25/h4-6,12-13,18-20,22-25,31-32H,7-11,14-17H2,1-3H3,(H,29,33)/t18?,19?,20?,22-,23+,24?,25?/m1/s1
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Inchikey: MKOPZQIQZWBFOD-ZISSWXNUSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H42N2O6
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Molecular weight: 502.60
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Monoisotopic mass: 502.30428706
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Fungi
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Fungi id Species 21 Acremonium sp. MST-MF588a