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(Q72475067)
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English
(2R,4S,4aR,5R,6R,8aS)-6-Ethylhexahydro-2,5-epoxy-2H-1-benzopyran-4,4a(5H)-diol
group of stereoisomers with the chemical formula C₁₁H₁₈O₄
Agistatin B
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
214.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₈O₄
0 references
canonical SMILES
CCC1CCC2OC3CC(O)C2(O)C1O3
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@@H]1CCC2O[C@@H]3C[C@H](O)C2(O)[C@H]1O3
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H18O4/c1-2-6-3-4-8-11(13)7(12)5-9(14-8)15-10(6)11/h6-10,12-13H,2-5H2,1H3/t6-,7+,8?,9+,10+,11?/m1/s1
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InChIKey
VPNRLNAIVJHRND-ZLBUGPOZSA-N
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CAS Registry Number
144096-46-8
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PubChem CID
71433626
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62381099
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30849505
0 references
DSSTOX compound identifier
DTXCID20800246
0 references
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