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(Q74418262)
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nectriapyrone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
polyketide
0 references
pyran-2-one
0 references
mass
194.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄O₃
0 references
canonical SMILES
O=C1OC(=CC(OC)=C1C)C(=CC)C
0 references
isomeric SMILES
C/C=C(\C)/C1=CC(=C(C(=O)O1)C)OC
0 references
found in taxon
Nalanthamala vermoesenii
3 references
stated in
Two pyrones from Gliocladium vermoesenii
stated in
The biosynthesis of nectriapyrone and vermopyrone
stated in
Two pyrones from Gliocladium vermoesenii
Gyrostroma missouriense
1 reference
stated in
Metabolites of phyrenomycetes II: Nectriapyrone, an antibiotic monoterpenoid
Identifiers
InChI
InChI=1S/C11H14O3/c1-5-7(2)9-6-10(13-4)8(3)11(12)14-9/h5-6H,1-4H3/b7-5+
0 references
InChIKey
NRLCQITWKJENAT-FNORWQNLSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
5358550
1 reference
matched by identifier from
InChIKey
InChIKey
NRLCQITWKJENAT-FNORWQNLSA-N
ChEBI ID
142639
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H14O3/c1-5-7(2)9-6-10(13-4)8(3)11(12)14-9/h5-6H,1-4H3/b7-5+
UniChem compound ID
34668373
1 reference
stated in
UniChem
NMRShiftDB structure ID
20182060
1 reference
matched by identifier from
InChIKey
InChIKey
NRLCQITWKJENAT-FNORWQNLSA-N
DSSTox substance ID
DTXSID101349315
1 reference
matched by identifier from
InChIKey
InChIKey
NRLCQITWKJENAT-FNORWQNLSA-N
KNApSAcK ID
C00010346
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NRLCQITWKJENAT-FNORWQNLSA-N
Natural Product Atlas ID
NPA033440
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NRLCQITWKJENAT-FNORWQNLSA-N
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