| more general categories |
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| 03. Biological Effects of Specific Chemicals |
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03. Biological Effects of Specific Chemicals |
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gitaloxin [CHEBI:70996] (1) |
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08. Chemical Category |
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gitaloxin [CHEBI:70996] (1) |
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gitaloxin [CHEBI:70996] (1) |
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gitaloxin [CHEBI:70996] (1) |
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| 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 |