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CHEBI:229061 - Asparanin B6

ChEBI IDCHEBI:229061
ChEBI NameAsparanin B6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64O12
Net Charge0
Average Mass724.929
Monoisotopic Mass724.43978
SMILESCC1CCC2(OC1)OC1CC3C4CCC5CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]6O)CCC5(C)C4CCC3(C)C1C2C
InChIInChI=1S/C39H64O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h18-36,40-45H,6-17H2,1-5H3/t18?,19?,20-,21?,22?,23?,24?,25?,26?,27+,28?,29+,30+,31+,32-,33+,34+,35-,36+,37?,38?,39?/m0/s1
InChIKeyGJVMWJXVJKLODQ-ANCUXUCHSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Asparanin B6 (CHEBI:229061) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol