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(Q104396059)
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Pectachol
group of stereoisomers with the chemical formula C₂₆H₃₄O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
drimane sesquiterpenoid
1 reference
inferred from
drimane sesquiterpenoid
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
442.23553880799983
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₄O₆
0 references
canonical SMILES
O=C1OC=2C(OC)=C(OCC3C(=C)CCC4C(C)(C)C(O)CCC34C)C(OC)=CC2C=C1
0 references
found in taxon
Artemisia abrotanum
1 reference
stated in
In vitro antimalarial activity of crude extracts and compounds fromArtemisia abrotanum L
Identifiers
InChI
InChI=1S/C26H34O6/c1-15-7-9-19-25(2,3)20(27)11-12-26(19,4)17(15)14-31-23-18(29-5)13-16-8-10-21(28)32-22(16)24(23)30-6/h8,10,13,17,19-20,27H,1,7,9,11-12,14H2,2-6H3
0 references
InChIKey
QISGCNZPAGFKFT-UHFFFAOYSA-N
0 references
PubChem CID
78178168
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QISGCNZPAGFKFT-UHFFFAOYSA-N
ChEBI ID
175561
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H34O6/c1-15-7-9-19-25(2,3)20(27)11-12-26(19,4)17(15)14-31-23-18(29-5)13-16-8-10-21(28)32-22(16)24(23)30-6/h8,10,13,17,19-20,27H,1,7,9,11-12,14H2,2-6H3
UniChem compound ID
32019614
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0039064
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QISGCNZPAGFKFT-UHFFFAOYSA-N
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