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CHEBI:169042 - Notoginsenoside R10

ChEBI IDCHEBI:169042
ChEBI NameNotoginsenoside R10
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O9
Net Charge0
Average Mass554.721
Monoisotopic Mass554.34548
SMILESCC(=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
InChIInChI=1S/C30H50O9/c1-14(32)15-7-10-29(5)21(15)16(33)11-19-28(4)9-8-20(34)27(2,3)25(28)17(12-30(19,29)6)38-26-24(37)23(36)22(35)18(13-31)39-26/h15-26,31,33-37H,7-13H2,1-6H3
InChIKeyMFXYPCMYAZAZDX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
Notoginsenoside R10 (CHEBI:169042) is a steroid saponin (CHEBI:61655)
IUPAC Name 
1-[3,12-dihydroxy-4,4,8,10,14-pentamethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Manual XrefsDatabases
HMDB0039051HMDB