Phomamide
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Formula: C17H22N2O4
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Molecular weight: 318.40
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Smiles: CC(=CCOC1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CO)C
Phomamide
Names
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Mycotoxin name: Phomamide
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First synonym: Phomamide
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Synonyms: phomamide,2,5-Piperazinedione, 3-(hydroxymethyl)-6-((4-((3-methyl-2-butenyl)oxy)phenyl)methyl)-, (3S,6S)-,74347-50-5,CHEMBL488518,DTXSID20225354,(3S)-3alpha-(Hydroxymethyl)-6alpha-[4-(3-methyl-2-butenyloxy)benzyl]piperazine-2,5-dione
Identifiers / External links
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CAS: 74347-50-5
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PubChem CID: 156472
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ChEMBL: CHEMBL488518
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Chemical Entities of Biological Interest (CHEBI): CHEBI:218115
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CompTox Chemicals Dashboard (DTXSID): DTXSID20225354
Structure
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Smiles: CC(=CCOC1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CO)C
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Isomeric smiles: CC(=CCOC1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CO)C
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Inchi: InChI=1S/C17H22N2O4/c1-11(2)7-8-23-13-5-3-12(4-6-13)9-14-16(21)19-15(10-20)17(22)18-14/h3-7,14-15,20H,8-10H2,1-2H3,(H,18,22)(H,19,21)/t14-,15-/m0/s1
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Inchikey: KRLKPTMEUFJHKD-GJZGRUSLSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C17H22N2O4
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Molecular weight: 318.40
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Monoisotopic mass: 318.15795719
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Fungi
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Fungi id Species 1029 Phoma lingam