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(Q82946110)
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English
(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrouro[3,2-g]chromen-5-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
276.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆O₅
0 references
canonical SMILES
O=C1C=C(OC=2C=C3OC(CC3=C(O)C12)C(O)(C)C)C
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isomeric SMILES
CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O)O
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found in taxon
Ammi visnaga
2 references
stated in
[Analysis of the active constituent of Ammi visnaga]
stated in
Die Konstitution des Visamminols
Visnaga daucoides
2 references
stated in
[Analysis of the active constituent of Ammi visnaga]
stated in
Die Konstitution des Visamminols
Angelica japonica
1 reference
stated in
Chemical studies of Angelica japonica A. Gray. I. On the constituents of the ethyl acetate extract of the root.
Identifiers
InChI
InChI=1S/C15H16O5/c1-7-4-9(16)13-11(19-7)6-10-8(14(13)17)5-12(20-10)15(2,3)18/h4,6,12,17-18H,5H2,1-3H3/t12-/m0/s1
0 references
InChIKey
LJSWMDKKEBOERP-LBPRGKRZSA-N
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CAS Registry Number
492-52-4
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PubChem CID
3083595
1 reference
matched by identifier from
InChIKey
InChIKey
LJSWMDKKEBOERP-LBPRGKRZSA-N
ChEBI ID
182467
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H16O5/c1-7-4-9(16)13-11(19-7)6-10-8(14(13)17)5-12(20-10)15(2,3)18/h4,6,12,17-18H,5H2,1-3H3/t12-/m0/s1
UniChem compound ID
3590303
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90964182
1 reference
matched by identifier from
InChIKey
InChIKey
LJSWMDKKEBOERP-LBPRGKRZSA-N
DSSTOX compound identifier
DTXCID201391888
0 references
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