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CHEBI:215428 - Neaumycin

ChEBI IDCHEBI:215428
ChEBI NameNeaumycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H86O15
Net Charge0
Average Mass987.278
Monoisotopic Mass986.59667
SMILESCCCC(C)[C@@H]1O[C@H]1C(OC)C(C)[C@H]1CCC[C@]2(C[C@H]3OC(=O)C=C(C)C(=O)O[C@@H](C[C@H](O)[C@@H](C)/C=C/C(OC)C[C@H](O)[C@@H](C)/C=C/C(=O)O2)[C@@H](OC)C/C=C/C=C/C=C/[C@@H](C)[C@@H](O)C[C@H](O)[C@@H]3C)O1
InChIInChI=1S/C55H86O15/c1-12-19-36(5)51-53(68-51)52(65-11)39(8)45-22-18-27-55(69-45)32-48-38(7)44(59)30-42(57)33(2)20-16-14-13-15-17-21-46(64-10)47(67-54(62)37(6)28-50(61)66-48)31-43(58)34(3)23-25-40(63-9)29-41(56)35(4)24-26-49(60)70-55/h13-17,20,23-26,28,33-36,38-48,51-53,56-59H,12,18-19,21-22,27,29-32H2,1-11H3/b14-13+,17-15+,20-16+,25-23+,26-24+,37-28?/t33-,34+,35+,36?,38+,39?,40?,41+,42+,43+,44+,45-,46+,47+,48-,51+,52?,53-,55+/m1/s1
InChIKeyCEKJIOUTQQEDIK-GUCGTPHASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22332843)
ChEBI Ontology
Outgoing Relation(s)
Neaumycin (CHEBI:215428) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3S,6E,6'R,8S,9S,12E,14S,15S,17S,18S,20E,22E,24E,26R,27S,29S,30S)-9,15,27,29-tetrahydroxy-11,18-dimethoxy-6'-[1-methoxy-1-[(2R,3S)-3-pentan-2-yloxiran-2-yl]propan-2-yl]-8,14,26,30,34-pentamethylspiro[4,31,36-trioxabicyclo[15.13.6]hexatriaconta-6,12,20,22,24,33-hexaene-3,2'-oxane]-5,32,35-trione