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CHEBI:181871 - Methyl 6-hydroxyangolensate

ChEBI IDCHEBI:181871
ChEBI NameMethyl 6-hydroxyangolensate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O8
Net Charge0
Average Mass486.561
Monoisotopic Mass486.22537
SMILES[H][C@@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]3(O[C@@]3([H])CC(=O)C(C)(C)[C@H](C(O)C(=O)OC)[C@@]13C)C2=C
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/t16-,18-,20?,21-,22-,25-,26-,27-/m0/s1
InChIKeyGOYZKWCPWBKPIG-WCORHPHQSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl 6-hydroxyangolensate (CHEBI:181871) is a limonoid (CHEBI:39434)
IUPAC Name 
methyl 2-[(1S,3S,7R,8R,9R,12S,13S)-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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28425486ChemSpider