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(Q105000306)
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1beta-Hydroxyalantolactone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1b-Hydroxyalantolactone
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=C1OC2CC3(C(=CC2C1=C)C(C)CCC3O)C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C[C@H]12)[C@@H](C)CC[C@H]3O
0 references
found in taxon
Inula helenium
1 reference
stated in
Lactones ofInula helenium
Inula japonica
2 references
stated in
Sesquiterpenoids from the Aerial Parts of Inula japonica
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
Inula britannica
2 references
stated in
Sesquiterpenoids from the Aerial Parts of Inula japonica
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
Pentanema britannicum
2 references
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
stated in
Sesquiterpenoids from the Aerial Parts of Inula japonica
Identifiers
InChI
InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3/t8-,10+,12+,13+,15+/m0/s1
0 references
InChIKey
FRNIMDDQCZHAFA-SCFTVSGOSA-N
0 references
CAS Registry Number
68776-47-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
71573444
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FRNIMDDQCZHAFA-SCFTVSGOSA-N
ChEBI ID
192839
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3/t8-,10+,12+,13+,15+/m0/s1
UniChem compound ID
32124057
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901313851
1 reference
matched by identifier from
InChIKey
InChIKey
FRNIMDDQCZHAFA-SCFTVSGOSA-N
UNII
GWC62NA7PP
1 reference
matched by identifier from
InChIKey
InChIKey
FRNIMDDQCZHAFA-SCFTVSGOSA-N
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