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CHEBI:182099 - Methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate

ChEBI IDCHEBI:182099
ChEBI NameMethyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O8
Net Charge0
Average Mass486.561
Monoisotopic Mass486.22537
SMILESC=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(C(O)C(=O)OC)C12C
InChIInChI=1S/C27H34O8/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-18-11-17(28)24(2,3)21(26(16,18)5)20(30)23(31)32-6/h8,10,13,16,18,20-22,30H,1,7,9,11-12H2,2-6H3
InChIKeyGOYZKWCPWBKPIG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate (CHEBI:182099) is a limonoid (CHEBI:39434)
IUPAC Name 
methyl 2-[13-(uran-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
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