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Asperpentyn
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(3-methylbut-3-en-1-yn-1-yl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
1 reference
based on heuristic
inferred from SMILES
mass
192.078644244
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂O₃
0 references
canonical SMILES
OC1C=C(C#CC(=C)C)C(O)C2OC12
0 references
isomeric SMILES
C=C(C)C#CC1=C[C@H](O)[C@H]2O[C@H]2[C@@H]1O
0 references
found in taxon
Aspergillus duricaulis
2 references
stated in
Asperpentyn, a novel acetylenic cyclohexene epoxide from Aspergillus duricaulis
stated in
Asperpentyn, a novel acetylenic cyclohexene epoxide from Aspergillus duricaulis
Rhizophora apiculata
1 reference
stated in
Phthalide and Isocoumarin Derivatives Produced by an Acremonium sp. Isolated from a Mangrove Rhizophora apiculata
Identifiers
InChI
InChI=1S/C11H12O3/c1-6(2)3-4-7-5-8(12)10-11(14-10)9(7)13/h5,8-13H,1H2,2H3/t8-,9+,10+,11-/m0/s1
0 references
InChIKey
KPEYCTJGQFOOBS-ZDCRXTMVSA-N
0 references
PubChem CID
11480953
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KPEYCTJGQFOOBS-ZDCRXTMVSA-N
ChEBI ID
219920
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H12O3/c1-6(2)3-4-7-5-8(12)10-11(14-10)9(7)13/h5,8-13H,1H2,2H3/t8-,9+,10+,11-/m0/s1
UniChem compound ID
32266216
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA032783
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KPEYCTJGQFOOBS-ZDCRXTMVSA-N
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