Melinacidin IV
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Formula: C30H28N6O8S4
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Molecular weight: 728.80
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Smiles: CN1C(=O)C23C(C4(C(N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)C67C(C89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C)O)O
Melinacidin IV
Names
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Mycotoxin name: Melinacidin IV
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First synonym: None
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Synonyms: Melinacidin IV,11,11'-Dihydroxychaetocin,11,11'-Dihydroxychetocin,(6S,6'S)-6,6'-Dihydroxychaetocin,Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-,Chetocin, 11,11'-dihydroxy-,37934-52-4,SCHEMBL19275171
Identifiers / External links
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CAS: 37934-52-4
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PubChem CID: 216967
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ChemSpiderID: 188003
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ChEMBL: CHEMBL19275171
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SCHEMBL: SCHEMBL19275171
Structure
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Smiles: CN1C(=O)C23C(C4(C(N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)C67C(C89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C)O)O
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Isomeric smiles: CN1C(=O)C23C(C4(C(N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)C67C(C89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C)O)O
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Inchi: InChI=1S/C30H28N6O8S4/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3
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Inchikey: VGJIEAUSEFTEPX-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C30H28N6O8S4
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Molecular weight: 728.80
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Monoisotopic mass: 728.08514657
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Fungi
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Fungi id Species