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(Q63409042)
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English
[6-methoxy-2-oxo-3-(2-oxochromen-7-yl)oxychromen-7-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
394.068867408
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₄O₈
0 references
canonical SMILES
CC(=O)OC1=C(C=C2C=C(C(=O)OC2=C1)OC3=CC4=C(C=C3)C=CC(=O)O4)OC
0 references
found in taxon
Edgeworthia chrysantha
1 reference
stated in
Piscicidal sterol acylglucosides from Edgeworthia chrysantha
Edgeworthia gardneri
2 references
stated in
Bis-coumarins from Edgeworthia gardneri
stated in
Bis-coumarins from Edgeworthia gardneri
Identifiers
InChI
InChI=1S/C21H14O8/c1-11(22)26-18-10-16-13(7-17(18)25-2)8-19(21(24)29-16)27-14-5-3-12-4-6-20(23)28-15(12)9-14/h3-10H,1-2H3
0 references
InChIKey
JGZOXTSCOZGQNQ-UHFFFAOYSA-N
0 references
PubChem CID
1269245
1 reference
matched by identifier from
InChIKey
InChIKey
JGZOXTSCOZGQNQ-UHFFFAOYSA-N
UniChem compound ID
779166
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Washington_State_Univ-BML01188
0 references
MSBNK-Washington_State_Univ-BML01194
0 references
MSBNK-Washington_State_Univ-BML01200
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MSBNK-Washington_State_Univ-BML01205
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MSBNK-Washington_State_Univ-BML01210
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MSBNK-Washington_State_Univ-BML01215
0 references
MSBNK-Washington_State_Univ-BML81045
0 references
MSBNK-Washington_State_Univ-BML81046
0 references
MSBNK-Washington_State_Univ-BML81047
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MSBNK-Washington_State_Univ-BML81048
0 references
DSSTox substance ID
DTXSID901346610
1 reference
matched by identifier from
InChIKey
InChIKey
JGZOXTSCOZGQNQ-UHFFFAOYSA-N
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