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

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ChEBI Name 3-(Acetyloxymethyl)-5-[2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]pent-2-enoic acid
ChEBI ID CHEBI:182705
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H34O5
Net Charge 0
Average Mass 378.509
Monoisotopic Mass 378.24062
InChI InChI=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)
InChIKey OEWYXUOBTOXNMX-UHFFFAOYSA-N
SMILES OCC=1C(C2(C(C(CCC2)(C)C)CC1)C)CCC(COC(=O)C)=CC(O)=O
ChEBI Ontology
Outgoing 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