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(Q113958969)
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English
(4R,6E,10E)-4-Methyl-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadecane-1(18),6,10,14,16-pentaene-2,12-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
316.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(R)-Monocillin II
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4R,6E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4S,6Z,10E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₀O₅
0 references
canonical SMILES
O=C1OC(C)CC=CCCC=CC(=O)CC=2C=C(O)C=C(O)C12
0 references
isomeric SMILES
C[C@@H]1C/C=C/CC/C=C/C(=O)Cc2cc(O)cc(O)c2C(=O)O1
0 references
found in taxon
Monocillium nordinii
1 reference
stated in
The isolation, identification, and bioassay of the antifungal metabolites produced by Monocillium nordinii
Niesslia nordinii
1 reference
stated in
The isolation, identification, and bioassay of the antifungal metabolites produced by Monocillium nordinii
Identifiers
InChI
InChI=1S/C18H20O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5-6,8,10-12,20-21H,2,4,7,9H2,1H3/b5-3+,8-6+/t12-/m1/s1
0 references
InChIKey
AGKSYPMAQRUJJY-RNLVMQRLSA-N
0 references
PubChem CID
11461229
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AGKSYPMAQRUJJY-RNLVMQRLSA-N
ChEBI ID
221006
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H20O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5-6,8,10-12,20-21H,2,4,7,9H2,1H3/b5-3+,8-6+/t12-/m1/s1
UniChem compound ID
89320
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA033027
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AGKSYPMAQRUJJY-RNLVMQRLSA-N
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