3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1,9,11,13(17)-tetraene-16,18-dione



Compound number:
MolPort-004-964-414
CAS number: 6885-57-0
IUPAC:
3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
IUPAC traditional:
aflatoxin M2
SMILES:
COc1cc2OC3OCCC3(O)c2c2oc(=O)c3C(=O)CCc3c12
InChI key:
OQLKWHFMUPJCJY-UHFFFAOYSA-N
Molecular formula:
C17H14O7
Molecular weight: 330.292
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-004-964-414
CAS number: 6885-57-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000000402708
ZINC000000402709
ZINC000000402710
ZINC000000402711
MFCD27918499
2,3,6a,8,9,9a-hexahydro-9a-hydroxy-4-methoxy-cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0^{2,9}.0^{3,7}.0^{13,17}]nonadeca-1(12),2(9),10,13(17)-tetraene-16,18-dione
Aflatoxin M2

InChI
InChI: 1S/C17H14O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h6,16,20H,2-5H2,1H3
InChI key: OQLKWHFMUPJCJY-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C17H14O7
Molecular weight: 330.292

Other

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