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CHEBI:182717 - [5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 3,4-dihydroxy-2-methylidenebutanoate

ChEBI IDCHEBI:182717
ChEBI Name[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 3,4-dihydroxy-2-methylidenebutanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O8
Net Charge0
Average Mass410.463
Monoisotopic Mass410.19407
SMILESC=CC1(C)CC(OC(=O)C(=C)C(O)CO)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
InChIInChI=1S/C21H30O8/c1-7-21(5)8-15(29-20(27)12(3)14(24)10-23)16(13(4)19(26)28-6)18(25)17(21)11(2)9-22/h7,14-18,22-25H,1-4,8-10H2,5-6H3
InChIKeyPUUYULQKNFTVDK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 3,4-dihydroxy-2-methylidenebutanoate (CHEBI:182717) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 3,4-dihydroxy-2-methylidenebutanoate
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