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(Q105326295)
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English
Fragransin D1
group of stereoisomers with the chemical formula C₂₂H₂₈O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
388.188588616
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₈O₆
0 references
canonical SMILES
OC1=CC=C(C=C1OC)C2OC(C3=CC(OC)=C(OC)C(OC)=C3)C(C)C2C
0 references
found in taxon
Virola surinamensis
1 reference
stated in
Lignans, γ-lactones and propiophenones of Virola surinamensis
Identifiers
InChI
InChI=1S/C22H28O6/c1-12-13(2)21(15-10-18(25-4)22(27-6)19(11-15)26-5)28-20(12)14-7-8-16(23)17(9-14)24-3/h7-13,20-21,23H,1-6H3
0 references
InChIKey
XEDYWOVSWKYCOS-UHFFFAOYSA-N
0 references
PubChem CID
14015414
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XEDYWOVSWKYCOS-UHFFFAOYSA-N
ChEBI ID
175946
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H28O6/c1-12-13(2)21(15-10-18(25-4)22(27-6)19(11-15)26-5)28-20(12)14-7-8-16(23)17(9-14)24-3/h7-13,20-21,23H,1-6H3
UniChem compound ID
32023048
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0033539
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XEDYWOVSWKYCOS-UHFFFAOYSA-N
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