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(Q82709069)
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English
6-Hexanoyl-4,5,7,8-tetrahydroxynaphthalene-1,2-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
320.089602852
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₆O₇
0 references
canonical SMILES
CCCCCC(=O)C1=C(C2=C(C(=C1O)O)C(=O)C(=O)C=C2O)O
0 references
found in taxon
Quambalaria cyanescens
1 reference
stated in
Quambalarine B, a Secondary Metabolite from Quambalaria cyanescens with Potential Anticancer Properties.
Identifiers
InChI
InChI=1S/C16H16O7/c1-2-3-4-5-7(17)11-14(21)10-8(18)6-9(19)13(20)12(10)16(23)15(11)22/h6,18,21-23H,2-5H2,1H3
0 references
InChIKey
BELSQXZRNRCYGF-UHFFFAOYSA-N
0 references
CAS Registry Number
90937-14-7
0 references
PubChem CID
71327821
1 reference
matched by identifier from
InChIKey
InChIKey
BELSQXZRNRCYGF-UHFFFAOYSA-N
ChEBI ID
205801
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H16O7/c1-2-3-4-5-7(17)11-14(21)10-8(18)6-9(19)13(20)12(10)16(23)15(11)22/h6,18,21-23H,2-5H2,1H3
UniChem compound ID
56517655
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90756842
1 reference
matched by identifier from
InChIKey
InChIKey
BELSQXZRNRCYGF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40707586
0 references
Natural Product Atlas ID
NPA022034
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BELSQXZRNRCYGF-UHFFFAOYSA-N
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