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(Q82229523)
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English
9H-Xanthen-9-one, 1-hydroxy-3,5,6-trimethoxy-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic xanthone
0 references
mass
302.079038168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₄O₆
0 references
canonical SMILES
COC1=C(C2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)OC)O)OC
0 references
found in taxon
Canscora alata
1 reference
stated in
Chemical Constituents of Gentianaceae IV: New Xanthones of Canscora decussata
Identifiers
InChI
InChI=1S/C16H14O6/c1-19-8-6-10(17)13-12(7-8)22-15-9(14(13)18)4-5-11(20-2)16(15)21-3/h4-7,17H,1-3H3
0 references
InChIKey
MNLGBRDSLUAKRO-UHFFFAOYSA-N
0 references
CAS Registry Number
4090-62-4
1 reference
stated in
CAS Common Chemistry
retrieved
5 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=4090-62-4
InChIKey
MNLGBRDSLUAKRO-UHFFFAOYSA-N
PubChem CID
5378599
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MNLGBRDSLUAKRO-UHFFFAOYSA-N
UniChem compound ID
54854019
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40418827
1 reference
matched by identifier from
InChIKey
InChIKey
MNLGBRDSLUAKRO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50369674
0 references
KNApSAcK ID
C00036434
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MNLGBRDSLUAKRO-UHFFFAOYSA-N
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