Pochonin B
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Formula: C18H19ClO7
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Molecular weight: 382.80
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Smiles: CC1CC2C(O2)CC(C=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1)O
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Type: Resorcyl lactone
Pochonin B
Names
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Mycotoxin name: Pochonin B
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First synonym: None
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Synonyms: Pochonin B,(4S,6R,8R,10S,11E)-16-chloro-10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo(13.4.0.06,8)nonadeca-1(15),11,16,18-tetraene-2,13-dione,(4S,6R,8R,10S,11E)-16-chloro-10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione,CHEMBL468030,chloro-trihydroxy-methyl-[?]dione,2H-Oxireno[e][2]benzoxacyclotetradecin-6,12(3H,7H)-dione, 8-chloro-1a,14,15,15a-tetrahydro-3,9,11-trihydroxy-14-methyl-, (1aR,3S,14S,15aR)-,544712-81-4
Identifiers / External links
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CAS: 544712-81-4
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PubChem CID: 6478911
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ChEMBL: CHEMBL468030
Structure
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Smiles: CC1CC2C(O2)CC(C=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1)O
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Isomeric smiles: C[C@H]1C[C@@H]2[C@H](O2)C[C@@H](/C=C/C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1)O
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Inchi: InChI=1S/C18H19ClO7/c1-8-4-14-15(26-14)6-10(21)3-2-9(20)5-11-16(18(24)25-8)12(22)7-13(23)17(11)19/h2-3,7-8,10,14-15,21-23H,4-6H2,1H3/b3-2+/t8-,10+,14+,15+/m0/s1
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Inchikey: BDHDUOMSMIFYEX-BHSJHAFESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H19ClO7
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Molecular weight: 382.80
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Monoisotopic mass: 382.0819306
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Fungi
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Fungi id Species