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CHEBI:182583 - [5-Formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate

ChEBI IDCHEBI:182583
ChEBI Name[5-Formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O9
Net Charge0
Average Mass426.462
Monoisotopic Mass426.18898
SMILESC=C(C(=O)OC1CC2(C)C(O)CCC(C=O)C2C(O)C1C(=C)C(=O)OC)C(O)CO
InChIInChI=1S/C21H30O9/c1-10(13(24)9-23)20(28)30-14-7-21(3)15(25)6-5-12(8-22)17(21)18(26)16(14)11(2)19(27)29-4/h8,12-18,23-26H,1-2,5-7,9H2,3-4H3
InChIKeyKCSPYQSCNFOIII-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[5-Formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate (CHEBI:182583) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
[5-ormyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
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