Massarinolin C
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Formula: C15H22O4
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Molecular weight: 266.33
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Smiles: CC(=CC(CC1(C2CCC(=C)C1C2)CO)O)C(=O)O
Massarinolin C
Names
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Mycotoxin name: Massarinolin C
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First synonym: None
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Synonyms: Massarinolin C,(E,4S)-4-hydroxy-5-[(1S,5S,6S)-6-(hydroxymethyl)-2-methylidene-6-bicyclo[3.1.1]heptanyl]-2-methylpent-2-enoic acid,Manassantin C,Mabetaarinolin C,CHEMBL453535,CHEBI:211414
Identifiers / External links
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PubChem CID: 10611802
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ChemSpiderID: 8787168
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ChEMBL: CHEMBL453535
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Chemical Entities of Biological Interest (CHEBI): CHEBI:211414
Structure
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Smiles: CC(=CC(CC1(C2CCC(=C)C1C2)CO)O)C(=O)O
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Isomeric smiles: C/C(=C\[C@H](C[C@@]1([C@H]2CCC(=C)[C@@H]1C2)CO)O)/C(=O)O
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Inchi: InChI=1S/C15H22O4/c1-9-3-4-11-6-13(9)15(11,8-16)7-12(17)5-10(2)14(18)19/h5,11-13,16-17H,1,3-4,6-8H2,2H3,(H,18,19)/b10-5+/t11-,12+,13-,15-/m0/s1
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Inchikey: WGXKIUPZJQCFIU-SZDLVHABSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H22O4
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Molecular weight: 266.33
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Monoisotopic mass: 266.15180918
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Fungi
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Fungi id Species