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(Q104938318)
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(3aR,6R,7aS)-hexahydro-2H-1-benzofuran-3a,6-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
hexahydro-2H-1-benzofuran-3a,6-diol
1 reference
based on heuristic
inferred from SMILES
mass
158.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aS,6S,7aR)-hexahydro-2H-1-benzofuran-3a,6-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,6S,7aS)-hexahydro-2H-1-benzofuran-3a,6-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₁₄O₃
0 references
canonical SMILES
OC1CCC2(O)CCOC2C1
0 references
isomeric SMILES
O[C@@H]1CC[C@@]2(O)CCO[C@H]2C1
0 references
found in taxon
Clerodendrum indicum
1 reference
stated in
New Cleroindicins fromClerodendrum indicum
Millingtonia hortensis
1 reference
stated in
Cyclohexylethanoids and related glucosides from Millingtonia hortensis
Identifiers
InChI
InChI=1S/C8H14O3/c9-6-1-2-8(10)3-4-11-7(8)5-6/h6-7,9-10H,1-5H2/t6-,7+,8-/m1/s1
0 references
InChIKey
BMCMOTVWVYIGFM-GJMOJQLCSA-N
0 references
CAS Registry Number
189264-46-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
11744892
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BMCMOTVWVYIGFM-GJMOJQLCSA-N
UniChem compound ID
32927373
1 reference
stated in
UniChem
NMRShiftDB structure ID
20230665
1 reference
matched by identifier from
InChIKey
InChIKey
BMCMOTVWVYIGFM-GJMOJQLCSA-N
DSSTox substance ID
DTXSID701247620
1 reference
matched by identifier from
InChIKey
InChIKey
BMCMOTVWVYIGFM-GJMOJQLCSA-N
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