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CHEBI:219531 - Selvamicin

ChEBI IDCHEBI:219531
ChEBI NameSelvamicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H76O18
Net Charge0
Average Mass929.107
Monoisotopic Mass928.50317
SMILESCCC1OC(=O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@](C)(O)[C@H](CC(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C(C)C(O[C@H]3C[C@@H](O)[C@@H](OC)[C@H](C)O3)C1C)O2
InChIInChI=1S/C47H76O18/c1-8-35-27(3)43(64-39-23-34(51)44(59-7)29(5)60-39)26(2)17-15-13-11-9-10-12-14-16-18-31(62-45-42(56)41(55)40(54)28(4)61-45)22-37-46(6,57)36(52)25-47(58,65-37)24-30(48)21-33(50)32(49)19-20-38(53)63-35/h9-18,26-37,39-45,48-52,54-58H,8,19-25H2,1-7H3/b10-9+,13-11+,14-12+,17-15+,18-16+/t26?,27?,28-,29+,30+,31?,32-,33-,34-,35?,36+,37+,39+,40-,41+,42+,43?,44+,45+,46+,47-/m1/s1
InChIKeyOCINEXWUTLUUBF-VRHNVQFVSA-N
Species of MetaboliteComponentSourceComments
Pseudonocardiaspecies (ncbitaxon:60912) - PubMed (27803316)
ChEBI Ontology
Outgoing Relation(s)
Selvamicin (CHEBI:219531) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3S,5R,6R,15E,17E,19E,21E,23E,27S,28S,29S)-11-ethyl-1,3,5,6,28,29-hexahydroxy-13-[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-12,14,28-trimethyl-25-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-10,31-dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaen-9-one