12beta-hydroxychaetoviridin c
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Formula: C23H27ClO7
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Molecular weight: 450.90
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Smiles: CC(C=CC1=CC2=C(C(=O)C3(C(C2=CO1)C(C(=O)O3)C(=O)C(C)C(C)O)C)Cl)C(C)O
12beta-hydroxychaetoviridin c
Names
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Mycotoxin name: 12beta-hydroxychaetoviridin c
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First synonym: 12beta-hydroxychaetoviridin c
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Synonyms: 12Beta-Hydroxychaetoviridin C,CHEBI:67618,CHEMBL1802157,Q27136085,rel-(6aS,9R,9aS)-5-chloro-9-[(2S,3S)-3-hydroxy-2-methylbutanoyl]-3-[(1E,3R,4R)-4-hydroxy-3-methylpent-1-en-1-yl]-6a-methyl-9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione
Identifiers / External links
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CAS: 1307311-73-4
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PubChem CID: 53355897
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ChemSpiderID: 26631628
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ChEMBL: CHEMBL1802157
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Wikidata (wiki): Q27136085
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Chemical Entities of Biological Interest (CHEBI): CHEBI:67618
Structure
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Smiles: CC(C=CC1=CC2=C(C(=O)C3(C(C2=CO1)C(C(=O)O3)C(=O)C(C)C(C)O)C)Cl)C(C)O
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Isomeric smiles: C[C@H](/C=C/C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)[C@@H](C(=O)O3)C(=O)[C@@H](C)[C@H](C)O)C)Cl)[C@@H](C)O
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Inchi: InChI=1S/C23H27ClO7/c1-10(12(3)25)6-7-14-8-15-16(9-30-14)18-17(20(27)11(2)13(4)26)22(29)31-23(18,5)21(28)19(15)24/h6-13,17-18,25-26H,1-5H3/b7-6+/t10-,11+,12-,13+,17-,18-,23+/m1/s1
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Inchikey: MEPQPODJTXSHEP-HETSEVKPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H27ClO7
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Molecular weight: 450.90
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Monoisotopic mass: 450.1445309
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Fungi
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Fungi id Species 334 Chaetomium globosum