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Peniophoral
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
bisabolanes
1 reference
based on heuristic
inferred from SMILES
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=CC1=CC=C(C=C1)C(O)(C)CC(=O)C=C(C)C
0 references
isomeric SMILES
CC(C)=CC(=O)C[C@@](C)(O)c1ccc(C=O)cc1
0 references
found in taxon
Peniophora polygonia
1 reference
stated in
Metabolites of Peniophora polygonia, Part 2. Some Aromatic Compounds
Identifiers
InChI
InChI=1S/C15H18O3/c1-11(2)8-14(17)9-15(3,18)13-6-4-12(10-16)5-7-13/h4-8,10,18H,9H2,1-3H3/t15-/m1/s1
0 references
InChIKey
UKIMSVPFEDFFBS-OAHLLOKOSA-N
0 references
PubChem CID
156580438
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UKIMSVPFEDFFBS-OAHLLOKOSA-N
ChEBI ID
209086
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H18O3/c1-11(2)8-14(17)9-15(3,18)13-6-4-12(10-16)5-7-13/h4-8,10,18H,9H2,1-3H3/t15-/m1/s1
Natural Product Atlas ID
NPA009514
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UKIMSVPFEDFFBS-OAHLLOKOSA-N
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