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(Q105379608)
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English
8-hydroxy-2-methylnaphthalene-1,4-dione
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic naphthochinone
0 references
mass
188.047344116
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₈O₃
0 references
canonical SMILES
O=C1C=C(C(=O)C=2C(O)=CC=CC12)C
0 references
found in taxon
Lawsonia inermis
2 references
stated in
A naphthoquinone from Lawsonia inermis stem bark
stated in
A naphthoquinone from Lawsonia inermis stem bark
Diospyros mannii
1 reference
stated in
3′-methoxydiospyrin, a 7-methyljuglone dimer from diospyros mannii
Juglans nigra
1 reference
stated in
Eight 1,4-naphthoquinones from Juglans
Juglans regia
1 reference
stated in
Eight 1,4-naphthoquinones from Juglans
Identifiers
InChI
InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3
0 references
InChIKey
ZMOIGGHUSNHCAB-UHFFFAOYSA-N
0 references
CAS Registry Number
14777-17-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
375105
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZMOIGGHUSNHCAB-UHFFFAOYSA-N
ChEBI ID
173524
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3
UniChem compound ID
25094237
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701317990
1 reference
matched by identifier from
InChIKey
InChIKey
ZMOIGGHUSNHCAB-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0035291
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZMOIGGHUSNHCAB-UHFFFAOYSA-N
UNII
SW8KH5YY53
1 reference
matched by identifier from
InChIKey
InChIKey
ZMOIGGHUSNHCAB-UHFFFAOYSA-N
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