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CHEBI:223422 - Cytovaricin

ChEBI IDCHEBI:223422
ChEBI NameCytovaricin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H80O16
Net Charge0
Average Mass901.141
Monoisotopic Mass900.54464
SMILESCC[C@H](O)C[C@@H]1O[C@]2(CC[C@H]1C)C[C@@H]1OC(=O)/C=C/[C@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@](C)(O)CCC/C=C\[C@H]3C[C@H](C)CO[C@@]3(O)C[C@H](O2)[C@H]1C
InChIInChI=1S/C47H80O16/c1-10-32(48)21-33-27(3)15-19-46(62-33)23-35-28(4)36(63-46)24-47(56)31(20-26(2)25-58-47)14-12-11-13-17-44(7,54)43(53)41(61-38-22-34(57-9)40(51)30(6)59-38)39(50)29(5)42(52)45(8,55)18-16-37(49)60-35/h12,14,16,18,26-36,38-43,48,50-56H,10-11,13,15,17,19-25H2,1-9H3/b14-12-,18-16+/t26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36-,38-,39+,40-,41+,42-,43-,44+,45-,46-,47-/m0/s1
InChIKeyNORZLTHXFWGSAT-AOCFWNEQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7319923)
ChEBI Ontology
Outgoing Relation(s)
Cytovaricin (CHEBI:223422) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3S,5'R,6S,6'S,8R,9Z,14R,15S,16R,17R,18R,19S,20S,21E,25S,27S,29R)-3,14,15,17,19,20-hexahydroxy-6'-[(2S)-2-hydroxybutyl]-16-[(2S,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',6,14,18,20,29-hexamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one
Manual XrefsDatabases
78443091ChemSpider