Acremoauxin a
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Formula: C16H21NO6
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Molecular weight: 323.34
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Smiles: CC(C1=CNC2=CC=CC=C21)C(=O)OCC(C(C(CO)O)O)O
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Type: Indole
Acremoauxin a
Names
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Mycotoxin name: Acremoauxin a
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First synonym: Acremoauxin a
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Synonyms: Acremoauxin A,2-(3-Indolyl)propanoylmannitol,125537-93-1,[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl] (2R)-2-(1H-indol-3-yl)propanoate,(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl (2R)-2-(1H-indol-3-yl)propanoate,CHEBI:2431,DTXSID70331590,C08468,Q27105663
Identifiers / External links
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CAS: 125537-93-1
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PubChem CID: 441556
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DSS TOX CID: DTXCID20282684
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ChemSpiderID: 390231
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Wikidata (wiki): Q27105663
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Chemical Entities of Biological Interest (CHEBI): CHEBI:2431
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CompTox Chemicals Dashboard (DTXSID): DTXSID70331590
Structure
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Smiles: CC(C1=CNC2=CC=CC=C21)C(=O)OCC(C(C(CO)O)O)O
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Isomeric smiles: C[C@H](C1=CNC2=CC=CC=C21)C(=O)OC[C@H]([C@@H]([C@@H](CO)O)O)O
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Inchi: InChI=1S/C16H21NO6/c1-9(11-6-17-12-5-3-2-4-10(11)12)16(22)23-8-14(20)15(21)13(19)7-18/h2-6,9,13-15,17-21H,7-8H2,1H3/t9-,13-,14-,15-/m1/s1
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Inchikey: YBXVDDODTFXOHM-SEWBAHNZSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H21NO6
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Molecular weight: 323.34
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Monoisotopic mass: 323.13688739
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Fungi
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Fungi id Species 10 Acremonium roseum