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gitaloxin
A cardenolide glycoside that is gitoxin in which the 16beta-hydroxy group has been formylated.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > metabolite [CHEBI:25212] > secondary metabolite [CHEBI:26619] > gitaloxin [CHEBI:70996]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 gitaloxin [CHEBI:70996] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 cardenolide glycoside [CHEBI:38092] (22) 
 gitaloxin [CHEBI:70996] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 cardenolide glycoside [CHEBI:38092] (22) 
 gitaloxin [CHEBI:70996] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 cardenolide glycoside [CHEBI:38092] (22) 
 gitaloxin [CHEBI:70996] (1)
ChEBI Compound Accession Identifier  [CHEBI:70996]
ChEBI Compound Description  A cardenolide glycoside that is gitoxin in which the 16beta-hydroxy group has been formylated.
ChEBI Compound Identification Number  70996
ChEBI InChI Value  InChI=1S/C42H64O15/c1-20-37(48)28(44)14-34(52-20)56-39-22(3)54-35(16-30(39)46)57-38-21(2)53-33(15-29(38)45)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(47)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-46,48-49H,6-11,13-18H2,1-5H3/t20-,21-,22-,24-,25+,26+,27-,28+,29+,30+,31+,33+,34+,35+,36+,37-,38-,39-,40+,41-,42+/m1/s1
ChEBI InChIKey Value  GZZJHPZDXZCDDA-MBJUQXSJSA-N
ChEBI Compound Name  gitaloxin
ChEBI SMILES Value  [H]C(=O)O[C@H]1C[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@@]1([H])C1=CC(=O)OC1)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
ChEBI Substance ID  160646246
ChEBI URL  ChEBI:70996
ChemSpider ID  8615825
Ontomatica Chemical Accession Key (OnChAKey)  GZZJHPZDXZCDDA_MBJUQXSJSA_N_000_000000
PubChem Compound ID  10440404