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(Q104196257)
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English
Austdiol
group of stereoisomers with the chemical formula C₁₂H₁₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
236.068473484
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₂O₅
0 references
canonical SMILES
O=CC=1C(=O)C(O)(C)C(O)C2=COC(=CC12)C
0 references
Identifiers
InChI
InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3
0 references
InChIKey
QVMUHZHZYCDMAI-UHFFFAOYSA-N
0 references
PubChem CID
3520232
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QVMUHZHZYCDMAI-UHFFFAOYSA-N
ChEBI ID
184597
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3
UniChem compound ID
1125622
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030858
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QVMUHZHZYCDMAI-UHFFFAOYSA-N
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