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(Q104169606)
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English
(3-Acetyloxy-10-formyl-9-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepin-2-yl) acetate
chemical compound
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default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
depsidone
0 references
mass
414.095082156
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₈O₉
0 references
canonical SMILES
O=CC1=C(OC)C=C(C=2C(=O)OC=3C(OC12)=CC(OC(=O)C)=C(OC(=O)C)C3C)C
0 references
found in taxon
Lobaria pulmonaria
1 reference
stated in
A new depsidone ofLobaria pulmonariawith acetylcholinesterase inhibition activity
Identifiers
InChI
InChI=1S/C21H18O9/c1-9-6-14(26-5)13(8-22)20-17(9)21(25)30-19-10(2)18(28-12(4)24)15(27-11(3)23)7-16(19)29-20/h6-8H,1-5H3
0 references
InChIKey
JJMKIKXKZGKPND-UHFFFAOYSA-N
0 references
PubChem CID
71816452
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JJMKIKXKZGKPND-UHFFFAOYSA-N
ChEBI ID
211386
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H18O9/c1-9-6-14(26-5)13(8-22)20-17(9)21(25)30-19-10(2)18(28-12(4)24)15(27-11(3)23)7-16(19)29-20/h6-8H,1-5H3
UniChem compound ID
69961829
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA009957
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JJMKIKXKZGKPND-UHFFFAOYSA-N
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