Sordarin-1-glucose ester
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Formula: C33H50O13
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Molecular weight: 654.70
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Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)C=O)COC6C(C(C(C(O6)C)OC)O)O
Sordarin-1-glucose ester
Names
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Mycotoxin name: Sordarin-1-glucose ester
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First synonym: Sordarin-1-glucose ester
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Synonyms: Sordarin-1-glucose ester
Identifiers / External links
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CAS: 398118-00-8
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PubChem CID: 139583208
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Chemical Entities of Biological Interest (CHEBI): CHEBI:197918
Structure
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Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)C=O)COC6C(C(C(C(O6)C)OC)O)O
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Isomeric smiles: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)C=O)COC6C(C(C(C(O6)C)OC)O)O
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Inchi: InChI=1S/C33H50O13/c1-14(2)20-8-17-9-31(12-35)19-7-6-15(3)18(19)10-32(17,13-43-28-26(40)24(38)27(42-5)16(4)44-28)33(20,31)30(41)46-29-25(39)23(37)22(36)21(11-34)45-29/h8,12,14-19,21-29,34,36-40H,6-7,9-11,13H2,1-5H3/t15-,16?,17?,18-,19-,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?/m1/s1
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Inchikey: NLDDAQSAGIEQAK-IGEXOZPXSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C33H50O13
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Molecular weight: 654.70
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Monoisotopic mass: 654.32514165
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Fungi
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Fungi id Species 1071 Rhizopus japonicus IMI 21600