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(Q82878136)
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4-(6-Hydroxyheptyl)-3-methylfuran-2(5H)-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(6-hydroxyheptyl)-3-methyl-5H-furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
212.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-[(6S)-6-hydroxyheptyl]-3-methyl-5H-furan-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₀O₃
0 references
canonical SMILES
O=C1OCC(=C1C)CCCCCC(O)C
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isomeric SMILES
CC1=C(COC1=O)CCCCC[C@@H](C)O
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found in taxon
Seiridium cupressi
3 references
stated in
Seiricardine A, A phytotoxic sesquiterpene from three Seiridium species pathogenic for cypress
stated in
Seiricuprolide, a new phytotoxic macrolide from a strain of Seiridium cupressi infecting cypress
stated in
Cyclopaldic acid, seiridin, and sphaeropsidin A as fungal phytotoxins, and larvicidal and biting deterrents against Aedes aegypti (Diptera: Culicidae): structure-activity relationships
Seiridium cardinale
1 reference
stated in
Structure Determination of Seiridin and Isoseiridin, Phytotoxic Butenolides from Culture Filtrate of Seiridium cardinale
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/C12H20O3/c1-9(13)6-4-3-5-7-11-8-15-12(14)10(11)2/h9,13H,3-8H2,1-2H3/t9-/m1/s1
0 references
InChIKey
SPMSMOKNNWFXOX-SECBINFHSA-N
0 references
CAS Registry Number
103963-34-4
0 references
PubChem CID
190634
1 reference
matched by identifier from
InChIKey
InChIKey
SPMSMOKNNWFXOX-SECBINFHSA-N
ChEBI ID
219027
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H20O3/c1-9(13)6-4-3-5-7-11-8-15-12(14)10(11)2/h9,13H,3-8H2,1-2H3/t9-/m1/s1
UniChem compound ID
33767662
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60908694
1 reference
matched by identifier from
InChIKey
InChIKey
SPMSMOKNNWFXOX-SECBINFHSA-N
DSSTOX compound identifier
DTXCID801337769
0 references
Natural Product Atlas ID
NPA032599
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SPMSMOKNNWFXOX-SECBINFHSA-N
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