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loading...| Preferred Name |
Salinomycin |
|
| Synonyms |
|
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_80025 |
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| charge |
0 |
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| database_cross_reference |
KNApSAcK:C00018019 KEGG:C15690 Wikipedia:Salinomycin CAS:53003-10-4 KEGG:D08502 |
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| formula |
C42H70O11 |
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| has_obo_namespace |
chebi_ontology |
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| id |
CHEBI:80025 |
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| in_subset | ||
| inchi |
InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1 |
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| inchikey |
KQXDHUJYNAXLNZ-XQSDOZFQSA-N |
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| label |
Salinomycin |
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| mass |
750.99860 |
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| monoisotopicmass |
750.49181 |
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| notation |
CHEBI:80025 |
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| prefLabel |
Salinomycin |
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| RO_0000087 | ||
| smiles |
CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]1O[C@@]2(O[C@@]3(CC[C@](C)(O3)C3CC[C@](O)(CC)[C@H](C)O3)[C@H](O)C=C2)[C@H](C)C[C@@H]1C)C(O)=O |
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| subClassOf |
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