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(Q105111528)
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English
Epoxyeremopetasinorol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(3-hydroxy-1b,2-dimethyl-2,3,4,5,5a,6-hexahydro-1aH-indeno[1,2-b]oxiren-6a-yl)ethanone
1 reference
based on heuristic
inferred from SMILES
mass
224.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₀O₃
0 references
canonical SMILES
O=C(C)C12OC1C3(C)C(C)C(O)CCC3C2
0 references
isomeric SMILES
CC(=O)[C@]12C[C@H]3CC[C@H](O)[C@H](C)[C@@]3(C)[C@H]1O2
0 references
found in taxon
Petasites japonicus
1 reference
stated in
Studies on the constituents of the rhizomes of Petrasites japonicus MAXIM. Structures of New Dinor-eremophilane Derivatives and New Eremophilenolides from the Rhizomes of Petasites japonicus MAXIM.
Identifiers
InChI
InChI=1S/C13H20O3/c1-7-10(15)5-4-9-6-13(8(2)14)11(16-13)12(7,9)3/h7,9-11,15H,4-6H2,1-3H3/t7-,9+,10-,11+,12+,13+/m0/s1
0 references
InChIKey
IDTQMVOQRHWPMV-KUUXYREKSA-N
0 references
CAS Registry Number
182127-78-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
15275909
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
172463
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H20O3/c1-7-10(15)5-4-9-6-13(8(2)14)11(16-13)12(7,9)3/h7,9-11,15H,4-6H2,1-3H3/t7-,9+,10-,11+,12+,13+/m0/s1
UniChem compound ID
97799225
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501112510
1 reference
matched by identifier from
InChIKey
InChIKey
IDTQMVOQRHWPMV-KUUXYREKSA-N
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