Multiplolide b
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Formula: C14H18O6
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Molecular weight: 282.29
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Smiles: CC=CC(=O)OC1CC(OC(=O)C2C(O2)C=CC1O)C
Multiplolide b
Names
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Mycotoxin name: Multiplolide b
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First synonym: Multiplolide b
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Synonyms: multiplolide B,CHEBI:66412,(4R,6R,7S,8E)-7-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl (2E)-but-2-enoate,CHEMBL459619,Q27134969
Identifiers / External links
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CAS: 356043-23-7
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PubChem CID: 11778517
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ChemSpiderID: 9953199
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ChEMBL: CHEMBL459619
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Wikidata (wiki): Q27134969
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Chemical Entities of Biological Interest (CHEBI): CHEBI:66412
Structure
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Smiles: CC=CC(=O)OC1CC(OC(=O)C2C(O2)C=CC1O)C
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Isomeric smiles: C/C=C/C(=O)O[C@@H]1C[C@H](OC(=O)C2C(O2)/C=C/[C@@H]1O)C
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Inchi: InChI=1S/C14H18O6/c1-3-4-12(16)19-11-7-8(2)18-14(17)13-10(20-13)6-5-9(11)15/h3-6,8-11,13,15H,7H2,1-2H3/b4-3+,6-5+/t8-,9+,10?,11-,13?/m1/s1
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Inchikey: MKNCRDRXKFGNDG-BGEOUFIESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C14H18O6
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Molecular weight: 282.29
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Monoisotopic mass: 282.11033829
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Fungi
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Fungi id Species 1184 Xylaria multiplex BCC1111