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(Q104391766)
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English
digitoxin
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
mass
764.4346921080003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₁H₆₄O₁₃
0 references
canonical SMILES
O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8)C(O)C7)C(O)C6)CCC5(C)C4CCC23C
0 references
found in taxon
Adenium obesum
1 reference
stated in
Cardiac glycosides and pregnanes from Adenium obesum (studies on the constituents of Adenium. I)
Digitalis cariensis
1 reference
stated in
Cardiac glycosides from the seeds of Digitalis cariensis
Digitalis lanata
4 references
stated in
Cardiac glycosides from the seeds of Digitalis cariensis
stated in
High-performance liquid chromatographic determination of cardenolides in Digitalis leaves after solid-phase extraction
stated in
Cardiac glycosides in partly submerged shoots of Digitalis lanata
stated in
Haploid plants regenerated from androgenic cell cultures of Digitalis lanata
Identifiers
InChI
InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3
0 references
InChIKey
WDJUZGPOPHTGOT-UHFFFAOYSA-N
0 references
PubChem CID
3061
1 reference
matched by identifier from
InChIKey
InChIKey
WDJUZGPOPHTGOT-UHFFFAOYSA-N
UniChem compound ID
689677
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Washington_State_Univ-BML01164
0 references
MSBNK-Washington_State_Univ-BML01173
0 references
MSBNK-Washington_State_Univ-BML01182
0 references
Human Metabolome Database ID
HMDB0251273
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WDJUZGPOPHTGOT-UHFFFAOYSA-N
Probes And Drugs ID
PD055244
0 references
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