2'-o-methylphaseollinisoflavan
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Formula: C21H22O4
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Molecular weight: 338.40
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Smiles: CC1(C=CC2=C(O1)C=CC(=C2OC)C3CC4=C(C=C(C=C4)O)OC3)C
2'-o-methylphaseollinisoflavan
Names
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Mycotoxin name: 2'-o-methylphaseollinisoflavan
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First synonym: 2'-o-methylphaseollinisoflavan
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Synonyms: 2'-O-Methylphaseollinisoflavan,2'-Methoxyphaseollinisoflavan,CHEBI:85117,Q27158339,(3R)-5'-methoxy-2',2'-dimethyl-3,4-dihydro-2H,2'H-[3,6'-bi-1-benzopyran]-7-ol
Identifiers / External links
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PubChem CID: 15391342
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ChemSpiderID: 24843077
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Wikidata (wiki): Q27158339
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Chemical Entities of Biological Interest (CHEBI): CHEBI:85117
Structure
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Smiles: CC1(C=CC2=C(O1)C=CC(=C2OC)C3CC4=C(C=C(C=C4)O)OC3)C
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Isomeric smiles: CC1(C=CC2=C(O1)C=CC(=C2OC)[C@H]3CC4=C(C=C(C=C4)O)OC3)C
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Inchi: InChI=1S/C21H22O4/c1-21(2)9-8-17-18(25-21)7-6-16(20(17)23-3)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-9,11,14,22H,10,12H2,1-3H3/t14-/m0/s1
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Inchikey: CSEWDTXNCZLZIW-AWEZNQCLSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H22O4
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Molecular weight: 338.40
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Monoisotopic mass: 338.15180918
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Fungi
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Fungi id Species 559 Fusarium solani