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(Q105033908)
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English
convallatoxin
group of stereoisomers with the chemical formula C₂₉H₄₂O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
mass
550.277797544
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₂O₁₀
0 references
canonical SMILES
O=CC12CCC(OC3OC(C)C(O)C(O)C3O)CC2(O)CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O
0 references
found in taxon
Streblus
1 reference
stated in
Cardiac Glycosides from the Roots of Streblus asper
Ammonia
1 reference
stated in
Cardiac Glycosides from the Roots of Streblus asper
Antiaris
1 reference
stated in
Cardenolides from Antiaris toxicaria as potent selective Nur77 modulators
Castilla elastica
1 reference
stated in
Die Cardenolide vonCastilla elastica CERV. Glykoside und Aglykone, 222. Mitteilung
Identifiers
InChI
InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3
0 references
InChIKey
HULMNSIAKWANQO-UHFFFAOYSA-N
0 references
PubChem CID
2862
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
169635
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3
UniChem compound ID
24634142
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034362
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HULMNSIAKWANQO-UHFFFAOYSA-N
Probes And Drugs ID
PD073604
0 references
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