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CHEBI:210419 - Auxarthonoside

ChEBI IDCHEBI:210419
ChEBI NameAuxarthonoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H84N2O16
Net Charge0
Average Mass945.198
Monoisotopic Mass944.58208
SMILESCOC[C@H]1O[C@H](O[C@]2(C)CC[C@@H](C(C)(C)O)O[C@H]2C/C(C)=C/CC/C=C(\C)CCCC2O[C@H](C(C)(C)O)CC[C@@]2(C)OC2O[C@H](COC)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C48H84N2O16/c1-27(18-15-19-35-47(9,22-20-33(63-35)45(5,6)57)65-43-37(49-29(3)51)41(55)39(53)31(61-43)25-59-11)16-13-14-17-28(2)24-36-48(10,23-21-34(64-36)46(7,8)58)66-44-38(50-30(4)52)42(56)40(54)32(62-44)26-60-12/h16-17,31-44,53-58H,13-15,18-26H2,1-12H3,(H,49,51)(H,50,52)/b27-16+,28-17+/t31-,32-,33+,34+,35?,36+,37-,38-,39-,40-,41-,42-,43?,44-,47-,48-/m1/s1
InChIKeyITKUGOUNAKZMDG-KZMUCKPESA-N
Species of MetaboliteComponentSourceComments
Malbranchea reticulata (ncbitaxon:113397) - PubMed (26287693)
ChEBI Ontology
Outgoing Relation(s)
Auxarthonoside (CHEBI:210419) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
N-[(3R,4R,5S,6R)-2-[(3R,6S)-2-[(4E,8E)-10-[(2S,3R,6S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]-4,9-dimethyldeca-4,8-dienyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide
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