Pinophilin b
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Formula: C21H22O8
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Molecular weight: 402.40
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Smiles: CC1=CC(=CC(=C1C(=O)OC2C3COC(=CC3=CC(=O)C2(C)O)C=CCO)O)O
Pinophilin b
Names
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Mycotoxin name: Pinophilin b
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First synonym: Pinophilin b
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Synonyms: Pinophilin B,CHEMBL2011647,BDBM50379294
Identifiers / External links
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CAS: 1355612-70-2
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PubChem CID: 57333718
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ChEMBL: CHEMBL2011647
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Chemical Entities of Biological Interest (CHEBI): CHEBI:202740
Structure
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Smiles: CC1=CC(=CC(=C1C(=O)OC2C3COC(=CC3=CC(=O)C2(C)O)C=CCO)O)O
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Isomeric smiles: CC1=CC(=CC(=C1C(=O)O[C@H]2[C@@H]3COC(=CC3=CC(=O)[C@@]2(C)O)/C=C/CO)O)O
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Inchi: InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-9,15,19,22-24,27H,5,10H2,1-2H3/b4-3+/t15-,19+,21-/m1/s1
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Inchikey: KKSKNERURMTALE-XWEVTOJWSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H22O8
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Molecular weight: 402.40
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Monoisotopic mass: 402.13146766
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Fungi
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Fungi id Species 891 Penicillium pinophilum Hedgcok