Phomactin B
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Formula: C20H30O4
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Molecular weight: 334.40
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Smiles: CC1C(C=C2C(=O)C3C(O3)(CCC=C(CCC1(C2(C)O)C)C)C)O
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Type: Phomactins
Phomactin B
Names
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Mycotoxin name: Phomactin B
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First synonym: None
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Synonyms: Phomactin B,(3S,5R,8E,12S,13S,14S,16R)-14,16-dihydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one,(3S,5R,8E,12S,13S,14S,16R)-14,16-dihydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo(10.3.1.03,5)hexadeca-1(15),8-dien-2-one,(3S,8E,12S,13S,14S,16R)-14,16-dihydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo(10.3.1.03,5)hexadeca-1(15),8-dien-2-one,(3S,8E,12S,13S,14S,16R)-14,16-dihydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one,CHEBI:211201
Identifiers / External links
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PubChem CID: 9974144
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Chemical Entities of Biological Interest (CHEBI): CHEBI:211201
Structure
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Smiles: CC1C(C=C2C(=O)C3C(O3)(CCC=C(CCC1(C2(C)O)C)C)C)O
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Isomeric smiles: C[C@@H]1[C@H](C=C2C(=O)[C@@H]3[C@](O3)(CC/C=C(/CC[C@@]1([C@@]2(C)O)C)\C)C)O
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Inchi: InChI=1S/C20H30O4/c1-12-7-6-9-19(4)17(24-19)16(22)14-11-15(21)13(2)18(3,10-8-12)20(14,5)23/h7,11,13,15,17,21,23H,6,8-10H2,1-5H3/b12-7+/t13-,15+,17-,18+,19-,20+/m1/s1
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Inchikey: IXABPXZNFDNAMM-GMHJXKCVSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H30O4
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Molecular weight: 334.40
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Monoisotopic mass: 334.21440943
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