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CHEBI:221185 - Octacyclomycin

ChEBI IDCHEBI:221185
ChEBI NameOctacyclomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H88O19
Net Charge0
Average Mass1017.257
Monoisotopic Mass1016.59198
SMILESCO[C@@H]1[C@@H](O[C@H]2CC[C@H](OC)[C@@H](C)O2)[C@H](C)[C@@](O)(CC(=O)O)O[C@H]1[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4O[C@H]4CC[C@H](OC)[C@@H](C)O4)O3)O2)C[C@H](O)[C@H]1C
InChIInChI=1S/C52H88O19/c1-26-21-27(2)52(58,25-53)69-42(26)36-22-37(64-40-15-13-34(59-10)31(6)62-40)47(65-36)49(9)18-17-38(67-49)48(8)19-20-50(71-48)23-33(54)28(3)43(68-50)29(4)44-46(61-12)45(30(5)51(57,70-44)24-39(55)56)66-41-16-14-35(60-11)32(7)63-41/h26-38,40-47,53-54,57-58H,13-25H2,1-12H3,(H,55,56)/t26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-,47+,48-,49-,50+,51+,52-/m0/s1
InChIKeyKNFNZSMXPGQAER-HGAFAVBASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1473999)
ChEBI Ontology
Outgoing Relation(s)
Octacyclomycin (CHEBI:221185) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3-methyloxan-2-yl]acetic acid