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(Q82911348)
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English
Neoanisatin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5,7,11-Trihydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
1 reference
based on heuristic
inferred from SMILES
mass
312.12090298
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2R,5R,6R,7R,8S,11R)-5,7,11-trihydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₇
0 references
canonical SMILES
O=C1OC2CC3(C1O)C(C)CCC3(O)C4(C(=O)OC4)C2(O)C
0 references
isomeric SMILES
C[C@@H]1CC[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@](C)(O)[C@@]21COC1=O
0 references
found in taxon
Illicium anisatum
2 references
stated in
Minor constituents from the seeds of Japanese star-anise.
stated in
Two sesquiterpene lactones from Illicium anisatum
Illicium verum
1 reference
stated in
Neurotropic components from star anise (Illicium verum Hook. fil.)
Identifiers
InChI
InChI=1S/C15H20O7/c1-7-3-4-15(20)13(7)5-8(22-10(17)9(13)16)12(2,19)14(15)6-21-11(14)18/h7-9,16,19-20H,3-6H2,1-2H3/t7-,8-,9+,12+,13+,14+,15-/m1/s1
0 references
InChIKey
OHFIOPJOZFMKFF-HIIDGFEESA-N
0 references
CAS Registry Number
15589-82-9
0 references
PubChem CID
167309
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OHFIOPJOZFMKFF-HIIDGFEESA-N
UniChem compound ID
34471498
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30935311
1 reference
matched by identifier from
InChIKey
InChIKey
OHFIOPJOZFMKFF-HIIDGFEESA-N
DSSTOX compound identifier
DTXCID401363944
0 references
KNApSAcK ID
C00060116
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OHFIOPJOZFMKFF-HIIDGFEESA-N
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