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(Q105348663)
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Ascofuranol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
farnesane sesquiterpenoid
0 references
mass
422.186001772
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₁ClO₅
0 references
canonical SMILES
O=CC1=C(O)C(=C(O)C(Cl)=C1C)CC=C(C)CCC=C(C)C2OC(C)(C)C(O)C2
0 references
isomeric SMILES
C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C=C(\C)[C@@H]1C[C@H](O)C(C)(C)O1
0 references
found in taxon
Acremonium
1 reference
stated in
Anti-inflammatory sesquiterpenoids from a sponge-derived Fungus Acremonium sp.
Ascochyta viciae
1 reference
stated in
Isolation and structure of ascofuranone and ascofranol, antibiotics with hypolipidemic activity.
Septoria viciae
1 reference
stated in
Isolation and structure of ascofuranone and ascofranol, antibiotics with hypolipidemic activity.
Identifiers
InChI
InChI=1S/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-,19-/m0/s1
0 references
InChIKey
YHXSUSPTGLHIRR-UZFWGDPLSA-N
0 references
PubChem CID
6452491
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHXSUSPTGLHIRR-UZFWGDPLSA-N
ChEBI ID
146279
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-,19-/m0/s1
UniChem compound ID
45945666
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA021176
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHXSUSPTGLHIRR-UZFWGDPLSA-N
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