Pestalopyrone
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Formula: C10H12O3
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Molecular weight: 180.20
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Smiles: CC=C(C)C1=CC(=CC(=O)O1)OC
Pestalopyrone
Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi
Names
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Mycotoxin name: Pestalopyrone
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First synonym: Pestalopyrone
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Synonyms: pestalopyrone,CHEMBL454237,BS-1284
Identifiers / External links
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CAS: 134956-10-8
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PubChem CID: 14841097
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ChEMBL: CHEMBL454237
Structure
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Smiles: CC=C(C)C1=CC(=CC(=O)O1)OC
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Isomeric smiles: C/C=C(\C)/C1=CC(=CC(=O)O1)OC
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Inchi: InChI=1S/C10H12O3/c1-4-7(2)9-5-8(12-3)6-10(11)13-9/h4-6H,1-3H3/b7-4+
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Inchikey: HOXZLCMLRLXRIN-QPJJXVBHSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C10H12O3
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Molecular weight: 180.20
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Monoisotopic mass: 180.078644241
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Fungi
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Fungi id Species 699 Nigrospora sp. PSU-F5