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(Q82845857)
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English
(2S,3S)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
324.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(+)-Protolichesterinic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
trans-(+)-Tetrahydro-4-methylene-5-oxo-2-tridecyl-3-furancarboxylic aid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₃₂O₄
0 references
canonical SMILES
O=C1OC(CCCCCCCCCCCCC)C(C(=O)O)C1=C
0 references
isomeric SMILES
CCCCCCCCCCCCC[C@H]1[C@H](C(=C)C(=O)O1)C(=O)O
0 references
found in taxon
Cetraria komarovii
1 reference
stated in
ChemInform Abstract: Chemistry of Proto- and allo-Proto-lichesterinic Acids.
Cetraria islandica islandica
2 references
stated in
Untersuchungen über Flechtenstoffe, LXXIX. Mitteil.: Über die Bestandteile von Cetraria islandica (L.) Ach. (II. Mitteil.)
stated in
Über die Bestandteile von Cetraria islandica Ach.
Cetraria islandica var. islandica
2 references
stated in
Untersuchungen über Flechtenstoffe, LXXIX. Mitteil.: Über die Bestandteile von Cetraria islandica (L.) Ach. (II. Mitteil.)
stated in
Über die Bestandteile von Cetraria islandica Ach.
Identifiers
InChI
InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16-17H,2-14H2,1H3,(H,20,21)/t16-,17-/m0/s1
0 references
InChIKey
WZYZDHVPSZCEEP-IRXDYDNUSA-N
0 references
CAS Registry Number
58845-79-7
0 references
PubChem CID
71443326
1 reference
matched by identifier from
InChIKey
InChIKey
WZYZDHVPSZCEEP-IRXDYDNUSA-N
ChEBI ID
144190
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16-17H,2-14H2,1H3,(H,20,21)/t16-,17-/m0/s1
UniChem compound ID
44034382
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70852154
1 reference
matched by identifier from
InChIKey
InChIKey
WZYZDHVPSZCEEP-IRXDYDNUSA-N
DSSTOX compound identifier
DTXCID10802895
0 references
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