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(Q104167554)
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English
Junosmarin
group of stereoisomers with the chemical formula C₁₉H₂₂O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
346.141638424
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂O₆
0 references
canonical SMILES
O=C1OC2=C(C=C1)C=CC=3OC(C)(C)C(OC(=O)CC(C)C)C(O)C32
0 references
found in taxon
Citrus canariculata
1 reference
stated in
New binary coumarins from Citrus plants.
Citrus sulcata
1 reference
stated in
New Coumarins from Citrus Plants.
Citrus × paradisi
1 reference
stated in
A New Biscoumarin from Citrus Plants
Trifoliate orange
1 reference
stated in
New binary coumarins from Citrus plants.
Identifiers
InChI
InChI=1S/C19H22O6/c1-10(2)9-14(21)24-18-16(22)15-12(25-19(18,3)4)7-5-11-6-8-13(20)23-17(11)15/h5-8,10,16,18,22H,9H2,1-4H3
0 references
InChIKey
GWZZKJQYTUFZHD-UHFFFAOYSA-N
0 references
PubChem CID
14055878
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
175388
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H22O6/c1-10(2)9-14(21)24-18-16(22)15-12(25-19(18,3)4)7-5-11-6-8-13(20)23-17(11)15/h5-8,10,16,18,22H,9H2,1-4H3
UniChem compound ID
31999201
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0033290
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GWZZKJQYTUFZHD-UHFFFAOYSA-N
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