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(Q82996025)
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Triphasiol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
348.157288488
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₄O₆
0 references
canonical SMILES
O=C1OC2=C(C=C1)C=CC(OCC(O)C(O)(C)C)=C2CC(=O)C(C)C
0 references
found in taxon
Clausena anisata
1 reference
stated in
Prenylated Coumarins from the Leaves of Clausena anisata
Triphasia trifolia
1 reference
stated in
Coumarins from the leaves of Murraya paniculata
Identifiers
InChI
InChI=1S/C19H24O6/c1-11(2)14(20)9-13-15(24-10-16(21)19(3,4)23)7-5-12-6-8-17(22)25-18(12)13/h5-8,11,16,21,23H,9-10H2,1-4H3
0 references
InChIKey
DMSHDRKZHASQRO-UHFFFAOYSA-N
0 references
CAS Registry Number
81445-98-9
1 reference
InChIKey
DMSHDRKZHASQRO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=81445-98-9
PubChem CID
157953
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DMSHDRKZHASQRO-UHFFFAOYSA-N
ChEBI ID
175421
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H24O6/c1-11(2)14(20)9-13-15(24-10-16(21)19(3,4)23)7-5-12-6-8-17(22)25-18(12)13/h5-8,11,16,21,23H,9-10H2,1-4H3
UniChem compound ID
32022936
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201001994
1 reference
matched by identifier from
InChIKey
InChIKey
DMSHDRKZHASQRO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID101428933
0 references
Human Metabolome Database ID
HMDB0039062
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DMSHDRKZHASQRO-UHFFFAOYSA-N
KNApSAcK ID
C00058209
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DMSHDRKZHASQRO-UHFFFAOYSA-N
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