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(Q77515391)
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English
Monaspurpurone
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
7-Acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one
1 reference
based on heuristic
inferred from SMILES
mass
250.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄O₅
0 references
canonical SMILES
O=C(C=1C=C2C(=O)C(O)(C)C(O)CC2=CC1O)C
0 references
isomeric SMILES
CC(=O)C1=C(C=C2C[C@@H]([C@@](C(=O)C2=C1)(C)O)O)O
0 references
found in taxon
Monascus purpureus
2 references
stated in
Secondary metabolites from the red mould rice of Monascus purpureus BCRC 38113.
stated in
Secondary metabolites from the red mould rice of Monascus purpureus BCRC 38113.
Identifiers
InChI
InChI=1S/C13H14O5/c1-6(14)8-5-9-7(3-10(8)15)4-11(16)13(2,18)12(9)17/h3,5,11,15-16,18H,4H2,1-2H3/t11-,13+/m0/s1
0 references
InChIKey
NSRAXDCHRMOUJF-WCQYABFASA-N
2 references
stated in
PubChem
PubChem CID
139586826
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586826
language of work or name
English
PubChem CID
139586826
2 references
stated in
PubChem
PubChem CID
139586826
language of work or name
English
matched by identifier from
InChIKey
InChIKey
NSRAXDCHRMOUJF-WCQYABFASA-N
ChEBI ID
206690
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H14O5/c1-6(14)8-5-9-7(3-10(8)15)4-11(16)13(2,18)12(9)17/h3,5,11,15-16,18H,4H2,1-2H3/t11-,13+/m0/s1
UniChem compound ID
154176706
1 reference
stated in
UniChem
KNApSAcK ID
C00056998
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NSRAXDCHRMOUJF-WCQYABFASA-N
Natural Product Atlas ID
NPA013461
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NSRAXDCHRMOUJF-WCQYABFASA-N
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