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CHEBI:186091 - Rhodojaponin III

ChEBI IDCHEBI:186091
ChEBI NameRhodojaponin III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILES[H][C@@]12CC[C@]3([H])[C@@H](O)[C@@]1(C[C@H](O)[C@]1(O)C(C)(C)[C@H]4O[C@H]4[C@@]1([H])[C@]2(C)O)C[C@@]3(C)O
InChIInChI=1S/C20H32O6/c1-16(2)15-12(26-15)13-18(4,24)10-6-5-9-14(22)19(10,8-17(9,3)23)7-11(21)20(13,16)25/h9-15,21-25H,5-8H2,1-4H3/t9-,10+,11+,12+,13+,14-,15+,17-,18-,19+,20-/m1/s1
InChIKeyVUMZHZYKXUYIHM-SYZWEKKLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Rhodojaponin III (CHEBI:186091) is a diterpene (CHEBI:35190)
IUPAC Name 
(1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecane-3,4,10,15,17-pentol
Manual XrefsDatabases
20087458ChemSpider
Registry NumbersSources
CAS:26342-66-5ChemIDplus