Pinophilin a
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Formula: C21H22O7
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Molecular weight: 386.40
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Smiles: CC=CC1=CC2=CC(=O)C(C(C2CO1)O)(C)OC(=O)C3=C(C=C(C=C3C)O)O
Pinophilin a
Names
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Mycotoxin name: Pinophilin a
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First synonym: Pinophilin a
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Synonyms: Pinophilin A,CHEMBL2011646,BDBM50379292
Identifiers / External links
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CAS: 1355612-69-9
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PubChem CID: 57333717
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ChEMBL: CHEMBL2011646
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Chemical Entities of Biological Interest (CHEBI): CHEBI:204197
Structure
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Smiles: CC=CC1=CC2=CC(=O)C(C(C2CO1)O)(C)OC(=O)C3=C(C=C(C=C3C)O)O
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Isomeric smiles: C/C=C/C1=CC2=CC(=O)[C@@]([C@H]([C@@H]2CO1)O)(C)OC(=O)C3=C(C=C(C=C3C)O)O
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Inchi: InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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Inchikey: JCQWLKQBYHSHOG-DAYKGMGPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H22O7
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Molecular weight: 386.40
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Monoisotopic mass: 386.13655304
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Fungi
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Fungi id Species 911 Penicillium rubrum Stoll