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(Q104389162)
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(6R,7S)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
chemical compound
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instance of
type of chemical entity
0 references
subclass of
3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
1 reference
based on heuristic
inferred from SMILES
mass
224.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3Z,6S,7R)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
senkyunolide i
1 reference
based on heuristic
inferred from InChI
(6R,7R)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
1 reference
based on heuristic
inferred from InChI
(3E)-3-Butylidene-4,5,6,7-tetrahydro-6beta,7alpha-dihydroxyisobenzofuran-1(3H)-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₆O₄
0 references
canonical SMILES
O=C1OC(=CCCC)C2=C1C(O)C(O)CC2
0 references
isomeric SMILES
CCCC=C1OC(=O)C2=C1CC[C@@H](O)[C@H]2O
0 references
found in taxon
Angelica sinensis
1 reference
stated in
Liquid chromatographic–electrospray mass spectrometric study of the phthalides of Angelica sinensis and chemical changes of Z-ligustilide
Ligusticum chuanxiong
2 references
stated in
Two phthalides from Ligusticum chuangxiong
stated in
Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry
Conioselinum anthriscoides
2 references
stated in
Two phthalides from Ligusticum chuangxiong
stated in
Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry
Angelica acutiloba
1 reference
stated in
Studies on the constituents of Umbelliferae plants. XVI. Isolation and structures of three new ligustilide derivatives from Angelica acutiloba.
Ligusticum officinale
2 references
stated in
Studies on the constituents of umbelliferae plants. XV Constituents of Cnidium officinale : Occurrence of pregnenolone, coniferylferulate and hydroxyphthalides.
stated in
Components of Cnidium officinale Makino: occurrence of pregnenolone, coniferyl ferulate, and hydroxyphthalides
Ligusticum striatum
2 references
stated in
Two phthalides from Ligusticum chuangxiong
stated in
Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry
Levisticum officinale
2 references
stated in
Studies on the constituents of umbelliferae plants. XV Constituents of Cnidium officinale : Occurrence of pregnenolone, coniferylferulate and hydroxyphthalides.
stated in
Components of Cnidium officinale Makino: occurrence of pregnenolone, coniferyl ferulate, and hydroxyphthalides
Oreocome striata
2 references
stated in
DETERMINATION OF THE ACTIVE INGREDIENTS IN CHUANXIONG BY HPLC, HPLC-MS, AND EI-MS
stated in
Studies on the constituents of umbelliferae plantx. XVII. Structures of three new ligustilide derivatives from Ligusticum wallichii.
Identifiers
InChI
InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/t8-,11-/m1/s1
0 references
InChIKey
DQNGMIQSXNGHOA-LDYMZIIASA-N
0 references
PubChem CID
131874235
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
163957357
1 reference
stated in
UniChem
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