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CHEBI:172770 - 3-Epipapyriferic acid

ChEBI IDCHEBI:172770
ChEBI Name3-Epipapyriferic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O8
Net Charge0
Average Mass604.825
Monoisotopic Mass604.39752
SMILESCC(=O)OC1CC2C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12
InChIInChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)
InChIKeyRLVAVWQAAQFUOP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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)
3-Epipapyriferic acid (CHEBI:172770) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
3-[[12-acetyloxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
Manual XrefsDatabases
HMDB0040498HMDB
511579ChemSpider