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loading...| Preferred Name |
Rifamycin S |
|
| Synonyms |
Rifamycin S |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_34948 |
|
| charge |
0 |
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| database_cross_reference |
KEGG:C14540 CAS:13553-79-2 |
|
| formula |
C37H45NO12 |
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| has_exact_synonym |
Rifamycin S |
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| has_obo_namespace |
chebi_ontology |
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| id |
CHEBI:34948 |
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| in_subset | ||
| inchi |
InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 |
|
| inchikey |
BTVYFIMKUHNOBZ-ODRIEIDWSA-N |
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| label |
Rifamycin S |
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| mass |
695.754 |
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| monoisotopicmass |
695.29418 |
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| notation |
CHEBI:34948 |
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| prefLabel |
Rifamycin S |
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| smiles |
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(O)c3C |
|
| subClassOf |
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