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(Q72487671)
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Lobetyolin
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
396.178417856
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₈
0 references
canonical SMILES
OCCCC=CC(OC1OC(CO)C(O)C(O)C1O)C(O)C#CC#CC=CC
0 references
isomeric SMILES
C/C=C/C#CC#CC(O)C(/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0 references
found in taxon
Platycodon grandiflorus
2 references
stated in
Polyacetylenes in Platycodon grandiflorum Hairy Root andCampanulaceous Plants
stated in
Polyacetylenes in hairy roots of Platycodon grandiflorum
Platycodon grandiflorum
2 references
stated in
Polyacetylenes in Platycodon grandiflorum Hairy Root andCampanulaceous Plants
stated in
Polyacetylenes in hairy roots of Platycodon grandiflorum
Lobelia siphilitica
1 reference
stated in
Piperidine and tetrahydropyridine alkaloids from Lobelia siphilitica and Hippobroma longiflora
Campanula medium
1 reference
stated in
Polyacetylenes in Hairy Root Cultures of Campanula medium L.
Lobelia chinensis
1 reference
stated in
Polyacetylenes in Hairy Root Cultures of Lobelia chinensis Lour.
Lobelia cardinalis
1 reference
stated in
Polyacetylene glucosides in hairy root cultures of Lobelia cardinalis
Identifiers
InChI
InChI=1S/C20H28O8/c1-2-3-4-5-7-10-14(23)15(11-8-6-9-12-21)27-20-19(26)18(25)17(24)16(13-22)28-20/h2-3,8,11,14-26H,6,9,12-13H2,1H3/b3-2+,11-8+/t14?,15?,16-,17-,18+,19-,20-/m1/s1
0 references
InChIKey
MMMUDYVKKPDZHS-UPPVCQNNSA-N
0 references
CAS Registry Number
136085-37-5
0 references
PubChem CID
53486204
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
65084837
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20704871
0 references
DSSTOX compound identifier
DTXCID40655619
0 references
Probes And Drugs ID
PD098241
0 references
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