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English
Dukunolide A
group of stereoisomers with the chemical formula C₂₆H₂₆O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
482.157682412
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₂₆O₉
0 references
canonical SMILES
O=C1OC(C2=COC=C2)C3(C=4C(=CCC3)CC5(O)C(=O)C(C)(C)C67OC7C(=O)OC6(C)C5(O)C14)C
0 references
found in taxon
Lansium domesticum
2 references
stated in
Structure of dukunolides, bitter principles of Lansium domesticum
stated in
Structure of dukunolide A: a tetranortriterpenoid with a new carbon skeleton from Lansium domesticum
Identifiers
InChI
InChI=1S/C26H26O9/c1-21(2)20(29)24(30)10-12-6-5-8-22(3)14(12)15(18(27)33-16(22)13-7-9-32-11-13)25(24,31)23(4)26(21)17(34-26)19(28)35-23/h6-7,9,11,16-17,30-31H,5,8,10H2,1-4H3
0 references
InChIKey
BATTZJIKLZSIAU-UHFFFAOYSA-N
0 references
PubChem CID
73820465
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BATTZJIKLZSIAU-UHFFFAOYSA-N
ChEBI ID
172707
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H26O9/c1-21(2)20(29)24(30)10-12-6-5-8-22(3)14(12)15(18(27)33-16(22)13-7-9-32-11-13)25(24,31)23(4)26(21)17(34-26)19(28)35-23/h6-7,9,11,16-17,30-31H,5,8,10H2,1-4H3
UniChem compound ID
31993915
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035683
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BATTZJIKLZSIAU-UHFFFAOYSA-N
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