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(Q105012073)
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English
7-Hydroxy-5-isopropyl-2-methoxy-3-methyl-1,4-naphthoquinone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic naphthochinone
0 references
mass
260.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆O₄
0 references
canonical SMILES
O=C1C(OC)=C(C(=O)C=2C1=CC(O)=CC2C(C)C)C
0 references
found in taxon
Pachira aquatica
1 reference
stated in
Accumulation of Isohemigossypolone and Its Related Compounds in the Inner Bark and Heartwood of Diseased Pachira aquatica
Identifiers
InChI
InChI=1S/C15H16O4/c1-7(2)10-5-9(16)6-11-12(10)13(17)8(3)15(19-4)14(11)18/h5-7,16H,1-4H3
0 references
InChIKey
GMQGRIMALOVAPW-UHFFFAOYSA-N
0 references
CAS Registry Number
253609-43-7
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
86205980
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GMQGRIMALOVAPW-UHFFFAOYSA-N
ChEBI ID
174420
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H16O4/c1-7(2)10-5-9(16)6-11-12(10)13(17)8(3)15(19-4)14(11)18/h5-7,16H,1-4H3
UniChem compound ID
32015209
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101161658
1 reference
matched by identifier from
InChIKey
InChIKey
GMQGRIMALOVAPW-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0035254
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GMQGRIMALOVAPW-UHFFFAOYSA-N
KNApSAcK ID
C00057287
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GMQGRIMALOVAPW-UHFFFAOYSA-N
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