Hypothemycin
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Formula: C19H22O8
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Molecular weight: 378.40
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Smiles: CC1CC=CC(=O)C(C(CC2C(O2)C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)O
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Type: Resorcyl lactone
Hypothemycin
Names
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Mycotoxin name: Hypothemycin
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First synonym: None
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Synonyms: HYPOTHEMYCIN,CHEBI:83275,DTXSID301017784,(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione,(1aR,8S,10Z,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione,(2R,4R,6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione,(1aR,8S,10Z,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno(k)(2)benzoxacyclotetradecine-6,12(1aH)-dione,(2R,4R,6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo(13.4.0.02,4)nonadeca-1(15),9,16,18-tetraene-8,14-dione,CHEMBL471474,SCHEMBL10187414,DTXCID601475965,BDBM50129131,NSC790709,AKOS027263555,DB07905,NSC-790709,G13472,Q27097139,Hypothemycin, from Hypomyces trichothecoides, >=98% (HPLC)
Identifiers / External links
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PubChem CID: 9929643
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DSS TOX CID: DTXCID601475965
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ChemSpiderID: 4572702
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ChEMBL: CHEMBL471474,CHEMBL10187414
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Wikidata (wiki): Q27097139
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Chemical Entities of Biological Interest (CHEBI): CHEBI:83275
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CompTox Chemicals Dashboard (DTXSID): DTXSID301017784
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SCHEMBL: SCHEMBL10187414
Structure
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Smiles: CC1CC=CC(=O)C(C(CC2C(O2)C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)O
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Isomeric smiles: C[C@H]1C/C=C\C(=O)[C@H]([C@H](C[C@@H]2[C@H](O2)C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)O
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Inchi: InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3-/t9-,14-,15+,17+,18+/m0/s1
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Inchikey: SSNQAUBBJYCSMY-KNTMUCJRSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H22O8
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Molecular weight: 378.40
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Monoisotopic mass: 378.13146766
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Fungi
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Fungi id Species