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CHEBI:219873 - X-14868C

ChEBI IDCHEBI:219873
ChEBI NameX-14868C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H78O17
Net Charge0
Average Mass903.113
Monoisotopic Mass902.52390
SMILESCO[C@@H]1[C@@H](O)[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@](C)(O)[C@H](C)C[C@@H]5C)C[C@@H]4O[C@@H]4C[C@H](OC)[C@@H](OC)[C@H](C)O4)O3)O2)C[C@H](O)[C@H]1C
InChIInChI=1S/C46H78O17/c1-22-17-23(2)44(9,51)60-36(22)30-18-31(57-34-19-29(53-10)39(54-11)27(6)56-34)41(58-30)43(8)14-13-32(59-43)42(7)15-16-45(63-42)20-28(47)24(3)37(61-45)25(4)38-40(55-12)35(50)26(5)46(52,62-38)21-33(48)49/h22-32,34-41,47,50-52H,13-21H2,1-12H3,(H,48,49)/t22-,23+,24+,25+,26-,27-,28-,29-,30+,31-,32+,34+,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+/m0/s1
InChIKeyYLJZFEIUUCJGFL-SPDLRFCQSA-N
Species of MetaboliteComponentSourceComments
Nocardiaspecies (ncbitaxon:1821) - PubMed (6853364)
ChEBI Ontology
Outgoing Relation(s)
X-14868C (CHEBI:219873) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2,4-dihydroxy-5-methoxy-3-methyloxan-2-yl]acetic acid