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Urodiolenone
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
eremophilane sesquiterpenoid
1 reference
inferred from
eremophilane sesquiterpenoid
mass
252.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₄O₃
0 references
canonical SMILES
O=C1C=C2CCC(CC2(C)C(C)C1)C(O)(C)CO
0 references
isomeric SMILES
C[C@@H]1CC(=O)C=C2CCC([C@@](C)(O)CO)C[C@]21C
0 references
found in taxon
Citrus × paradisi
1 reference
stated in
Urodiolenone from grapefruit juice, a urinary metabolite found in hypertensive subjects
Identifiers
InChI
InChI=1S/C15H24O3/c1-10-6-13(17)7-11-4-5-12(8-14(10,11)2)15(3,18)9-16/h7,10,12,16,18H,4-6,8-9H2,1-3H3/t10-,12?,14+,15+/m1/s1
0 references
InChIKey
DJPISZPEZJGKKI-NLNMXKJXSA-N
0 references
CAS Registry Number
114394-01-3
0 references
PubChem CID
3082691
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
174343
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
54598342
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20921344
0 references
DSSTOX compound identifier
DTXCID301350241
0 references
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