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(Q82070081)
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BOHLMANN K3089
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
farnesane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C(C=C(C)C)CC1(OC(C2=COC=C2)CC1)C
0 references
found in taxon
sweet potato
1 reference
stated in
Biosynthesis of furanosesquiterpenoid stress metabolites in sweet potatoes (Ipomoea batatas). Oxidation of ipomeamarone to 4-hydroxymyoporone
Eremophila deserti
2 references
stated in
Terpenoid chemistry. XXI. ( - )-Epingaione, ( - )-Dehydrongaione, ( - )-Dehydroepingaione, and ( - )-Deisopropylngaione, toxic furanoid sesquiterpenoid ketones from Myoporum deserti
stated in
Terpenoid chemistry. XVII. ( - )-Ngaoine, a toxic constituent of Myoporum deserti. The absolute configuration of ( - )-Ngaione
Identifiers
InChI
InChI=1S/C15H20O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7-8,10,14H,4,6,9H2,1-3H3
0 references
InChIKey
QQYXBLIHHIHFCW-UHFFFAOYSA-N
0 references
CAS Registry Number
36238-02-5
0 references
PubChem CID
327381
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QQYXBLIHHIHFCW-UHFFFAOYSA-N
UniChem compound ID
56078346
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40316334
1 reference
matched by identifier from
InChIKey
InChIKey
QQYXBLIHHIHFCW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80267457
0 references
NSC number
302292
0 references
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