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loading...| Preferred Name |
Novobiocin sodium |
|
| Synonyms |
Novobiocin sodium |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31924 |
|
| charge |
0 |
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| database_cross_reference |
KEGG:D01209 CAS:1476-53-5 KEGG:C12609 |
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| formula |
C31H35N2O11.Na |
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| has_exact_synonym |
Novobiocin sodium |
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| has_obo_namespace |
chebi_ontology |
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| id |
CHEBI:31924 |
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| in_subset | ||
| inchi |
InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1 |
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| inchikey |
WWPRGAYLRGSOSU-RNROJPEYSA-M |
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| label |
Novobiocin sodium |
|
| mass |
634.607 |
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| monoisotopicmass |
634.21385 |
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| notation |
CHEBI:31924 |
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| prefLabel |
Novobiocin sodium |
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| smiles |
[Na+].CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C |
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| treeView | ||
| subClassOf |
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