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CHEBI:182705 - 3-(Acetyloxymethyl)-5-[2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]pent-2-enoic acid

ChEBI IDCHEBI:182705
ChEBI Name3-(Acetyloxymethyl)-5-[2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]pent-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCC(=O)OCC(=CC(=O)O)CCC1C(CO)=CCC2C(C)(C)CCCC12C
InChIInChI=1S/C22H34O5/c1-15(24)27-14-16(12-20(25)26)6-8-18-17(13-23)7-9-19-21(2,3)10-5-11-22(18,19)4/h7,12,18-19,23H,5-6,8-11,13-14H2,1-4H3,(H,25,26)
InChIKeyOEWYXUOBTOXNMX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(Acetyloxymethyl)-5-[2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]pent-2-enoic acid (CHEBI:182705) is a diterpenoid (CHEBI:23849)
IUPAC Name 
3-(acetyloxymethyl)-5-[2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]pent-2-enoic acid