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(Q81978732)
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English
(6aS,9aS)-4-Methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
312.063388104
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
aflatoxin B1
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₂O₆
0 references
canonical SMILES
COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C=COC1O2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@H]5OC4=C1
0 references
Identifiers
InChI
InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17-/m0/s1
0 references
InChIKey
OQIQSTLJSLGHID-QPFGOUBPSA-N
0 references
CAS Registry Number
1212339-27-9
0 references
PubChem CID
6951049
0 references
UniChem compound ID
14329727
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40873174
0 references
DSSTOX compound identifier
DTXCID10820675
0 references
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