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CHEBI:181615 - (E)-3-(Acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid

ChEBI IDCHEBI:181615
ChEBI Name(E)-3-(Acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCC(=O)OC/C(=C/C(=O)O)CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C
InChIInChI=1S/C22H32O6/c1-14(24)28-13-15(10-19(26)27)6-7-17-16(12-23)11-18(25)20-21(2,3)8-5-9-22(17,20)4/h10-12,17-18,20,25H,5-9,13H2,1-4H3,(H,26,27)/b15-10+
InChIKeyXMWOVKVFIVCVPN-XNTDXEJSSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-3-(Acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid (CHEBI:181615) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(E)-3-(acetyloxymethyl)-5-(2-ormyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid
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