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CHEBI:172595 - 6-O-Acetylaustroinulin

ChEBI IDCHEBI:172595
ChEBI Name6-O-Acetylaustroinulin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O4
Net Charge0
Average Mass364.526
Monoisotopic Mass364.26136
SMILESC=C/C(C)=C\CC1C(C)(O)C(O)C(OC(C)=O)C2C(C)(C)CCCC21C
InChIInChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(26-15(3)23)19(24)22(16,7)25/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10-
InChIKeyCOFSRJDBTTZNBZ-UVTDQMKNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
6-O-Acetylaustroinulin (CHEBI:172595) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[2,3-dihydroxy-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
Manual XrefsDatabases
HMDB0036803HMDB
35014253ChemSpider