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(Q104988021)
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English
2-Oxoalantolactone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
eudesmane sesquiterpenoid
0 references
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=C1OC2CC3(C(=CC2C1=C)C(C)CC(=O)C3)C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2C[C@@]3(C)CC(=O)C[C@H](C)C3=C[C@H]12
0 references
found in taxon
Inula helenium
1 reference
stated in
Lactones ofInula helenium
Inula royleana
1 reference
stated in
Inuroyleanol and 7-ketoroyleanone, two novel diterpenoids of Inula royleana DC
Identifiers
InChI
InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,11,13H,2,4,6-7H2,1,3H3/t8-,11+,13+,15+/m0/s1
0 references
InChIKey
DSTJGYCTYZXZNH-DGFVYPATSA-N
0 references
CAS Registry Number
68776-46-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
73356469
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DSTJGYCTYZXZNH-DGFVYPATSA-N
UniChem compound ID
69473151
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201113838
1 reference
matched by identifier from
InChIKey
InChIKey
DSTJGYCTYZXZNH-DGFVYPATSA-N
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