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CHEBI:186155 - Ximaosteroid D

ChEBI IDCHEBI:186155
ChEBI NameXimaosteroid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O7
Net Charge0
Average Mass490.637
Monoisotopic Mass490.29305
SMILES[H][C@@]12CC=C3C[C@@H](OC4OC(O)C(O)C(O)C4OC(C)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C=C)CC[C@@]21[H]
InChIInChI=1S/C28H42O7/c1-5-16-7-9-20-19-8-6-17-14-18(10-12-28(17,4)21(19)11-13-27(16,20)3)34-26-24(33-15(2)29)22(30)23(31)25(32)35-26/h5-6,16,18-26,30-32H,1,7-14H2,2-4H3/t16-,18-,19-,20-,21-,22?,23?,24?,25?,26?,27+,28-/m0/s1
InChIKeyIFBLZPVQRIPRGD-UDPDITIQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Ximaosteroid D (CHEBI:186155) is a steroid saponin (CHEBI:61655)
IUPAC Name 
[2-[[(3S,8S,9S,10R,13R,14S,17R)-17-ethenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5,6-trihydroxyoxan-3-yl] acetate
Manual XrefsDatabases
LMST05050007LIPID MAPS