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CHEBI:190841 - Melongoside F

ChEBI IDCHEBI:190841
ChEBI NameMelongoside F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H62O13
Net Charge0
Average Mass738.912
Monoisotopic Mass738.41904
SMILES[H][C@]12[C@H](C)C3(CC[C@@H](C)CO3)O[C@@]1([H])CC1C3CC=C4CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)C3CC[C@@]12C
InChIInChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21?,22?,23?,24?,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39?/m1/s1
InChIKeySOSXYUIKBSZONB-ASUAYYIXSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
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)
Melongoside F (CHEBI:190841) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(4S,5'R,7S,8R,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
166881ChemSpider
Registry NumbersSources
CAS:94805-85-3ChemIDplus