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(Q105254987)
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allo-Pertusaric acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-methylidene-5-oxo-2-(14-oxopentadecyl)oxolane-3-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
366.240624188
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,3S)-4-methylidene-5-oxo-2-(14-oxopentadecyl)oxolane-3-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Muronic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₄O₅
0 references
canonical SMILES
O=C1OC(CCCCCCCCCCCCCC(=O)C)C(C(=O)O)C1=C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H](CCCCCCCCCCCCCC(C)=O)[C@H]1C(=O)O
0 references
found in taxon
Pertusaria albescens
2 references
stated in
(−)-Allo-pertusaric acid and (−)-dihydropertusaric acid from the lichen Pertusaria albescens
stated in
(−)-Allo-pertusaric acid and (−)-dihydropertusaric acid from the lichen Pertusaria albescens
Lepra albescens
1 reference
stated in
(−)-Allo-pertusaric acid and (−)-dihydropertusaric acid from the lichen Pertusaria albescens
Identifiers
InChI
InChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18-19H,2-15H2,1H3,(H,23,24)/t18-,19-/m0/s1
0 references
InChIKey
SKQHRBRVCRUFSX-OALUTQOASA-N
0 references
PubChem CID
23250951
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SKQHRBRVCRUFSX-OALUTQOASA-N
ChEBI ID
144188
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18-19H,2-15H2,1H3,(H,23,24)/t18-,19-/m0/s1
UniChem compound ID
64010235
1 reference
stated in
UniChem
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