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CHEBI:180758 - Alliospiroside C

ChEBI IDCHEBI:180758
ChEBI NameAlliospiroside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H60O13
Net Charge0
Average Mass724.885
Monoisotopic Mass724.40339
SMILESCC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C1C2C
InChIInChI=1S/C38H60O13/c1-16-14-47-38(13-24(16)40)17(2)28-26(51-38)12-23-21-7-6-19-10-20(39)11-27(37(19,5)22(21)8-9-36(23,28)4)49-35-33(30(43)25(41)15-46-35)50-34-32(45)31(44)29(42)18(3)48-34/h6,16-18,20-35,39-45H,7-15H2,1-5H3
InChIKeyCEUOJNPNKKLCDB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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)
Alliospiroside C (CHEBI:180758) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[2-(4',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
3828548ChemSpider
HMDB0030914HMDB