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(Q105300891)
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English
5-hydroxy-2,3-dimethylnaphthalene-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
202.06299418
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₀O₃
0 references
canonical SMILES
O=C1C=2C=CC=C(O)C2C(=O)C(=C1C)C
0 references
found in taxon
Diospyros maritima
3 references
stated in
Bioactive Naphthoquinone Derivatives from Diospyros maritima BLUME.
stated in
Three new naphthoquinone derivatives from Diospyros maritima Blume
stated in
Bioactive Naphthoquinone Derivatives from Diospyros maritima BLUME.
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/C12H10O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3
0 references
InChIKey
WBPHCLSNRLPSPK-UHFFFAOYSA-N
0 references
CAS Registry Number
80596-51-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10821969
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WBPHCLSNRLPSPK-UHFFFAOYSA-N
ChEBI ID
173556
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H10O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3
UniChem compound ID
32018937
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID001272658
1 reference
matched by identifier from
InChIKey
InChIKey
WBPHCLSNRLPSPK-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0034663
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WBPHCLSNRLPSPK-UHFFFAOYSA-N
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