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CHEBI:206011 - Rutamycin B

ChEBI IDCHEBI:206011
ChEBI NameRutamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H72O10
Net Charge0
Average Mass761.050
Monoisotopic Mass760.51255
SMILESCC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@@H]2C[C@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)O[C@H](CC1)[C@@H]2C
InChIInChI=1S/C44H72O10/c1-11-34-16-14-12-13-15-26(3)39(47)30(7)41(49)32(9)43(51)33(10)42(50)31(8)40(48)27(4)17-20-38(46)52-37-24-44(53-35(19-18-34)29(37)6)22-21-25(2)36(54-44)23-28(5)45/h12-14,16-17,20,25-37,39-40,43,45,47-48,51H,11,15,18-19,21-24H2,1-10H3/b13-12+,16-14+,20-17+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44-/m1/s1
InChIKeyNLTVXGAGXODEBS-ULZPCFQASA-N
ChEBI Ontology
Outgoing Relation(s)
Rutamycin B (CHEBI:206011) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,4E,5'R,6R,6'R,7S,8R,10S,11R,12R,14R,15R,16S,18E,20E,22S,25R,27S,29S)-22-ethyl-7,11,15-trihydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione
Manual XrefsDatabases
34986034ChemSpider