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(Q104399237)
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English
Sonchifolin
group of stereoisomers with the chemical formula C₂₁H₂₆O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
mass
374.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆O₆
0 references
canonical SMILES
O=C(OC)C1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C(=CC)C)C1)C
0 references
isomeric SMILES
C=C1C(=O)OC2/C=C(\C)CC/C=C(/C(=O)OC)CC(OC(=O)/C(C)=C\C)C12
1 reference
based on heuristic
inferred from InChI
found in taxon
Smallanthus sonchifolius
1 reference
stated in
Effect of epoxides and α-methylene-γ-lactone skeleton of sesquiterpenes from yacon (Smallanthus sonchifolius) leaves on caspase-dependent apoptosis and NF-κB inhibition in human cercival cancer cells
Identifiers
InChI
InChI=1S/C21H26O6/c1-6-13(3)19(22)26-17-11-15(21(24)25-5)9-7-8-12(2)10-16-18(17)14(4)20(23)27-16/h6,9-10,16-18H,4,7-8,11H2,1-3,5H3/b12-10+,13-6-,15-9+
0 references
InChIKey
DBSZDVZLFLCIOQ-VPXSVSNXSA-N
0 references
PubChem CID
131753040
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
175820
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H26O6/c1-6-13(3)19(22)26-17-11-15(21(24)25-5)9-7-8-12(2)10-16-18(17)14(4)20(23)27-16/h6,9-10,16-18H,4,7-8,11H2,1-3,5H3/b12-10+,13-6-,15-9+
UniChem compound ID
32018782
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0041139
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DBSZDVZLFLCIOQ-VPXSVSNXSA-N
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