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CHEBI:181754 - methyl 2-[1,3,8-trihydroxy-8-(hydroxymethyl)-4a-methyl-5-oxo-2,3,4,6,7,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoate

ChEBI IDCHEBI:181754
ChEBI Namemethyl 2-[1,3,8-trihydroxy-8-(hydroxymethyl)-4a-methyl-5-oxo-2,3,4,6,7,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O7
Net Charge0
Average Mass328.361
Monoisotopic Mass328.15220
SMILESC=C(C(=O)OC)C1C(O)CC2(C)C(=O)CCC(O)(CO)C2C1O
InChIInChI=1S/C16H24O7/c1-8(14(21)23-3)11-9(18)6-15(2)10(19)4-5-16(22,7-17)13(15)12(11)20/h9,11-13,17-18,20,22H,1,4-7H2,2-3H3
InChIKeyIBNYGHYDOSWFHJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 2-[1,3,8-trihydroxy-8-(hydroxymethyl)-4a-methyl-5-oxo-2,3,4,6,7,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoate (CHEBI:181754) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
methyl 2-[1,3,8-trihydroxy-8-(hydroxymethyl)-4a-methyl-5-oxo-2,3,4,6,7,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoate