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CHEBI:215071 - (4E)-methyl 13-((16-(furan-3-yl) ethyl)-octahydro-7-hydroxy-4-((E)-23-methylbut-21-enyl)-2H-chromen-6-yl)-4-methylpent-4-enoate

ChEBI IDCHEBI:215071
ChEBI Name(4E)-methyl 13-((16-(furan-3-yl) ethyl)-octahydro-7-hydroxy-4-((E)-23-methylbut-21-enyl)-2H-chromen-6-yl)-4-methylpent-4-enoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O5
Net Charge0
Average Mass444.612
Monoisotopic Mass444.28757
SMILESCOC(=O)CC/C(C)=C/C1CC2C(CC1O)OCC(CCc1ccco1)C2/C=C/C(C)C
InChIInChI=1S/C27H40O5/c1-18(2)7-11-23-20(9-10-22-6-5-13-31-22)17-32-26-16-25(28)21(15-24(23)26)14-19(3)8-12-27(29)30-4/h5-7,11,13-14,18,20-21,23-26,28H,8-10,12,15-17H2,1-4H3/b11-7+,19-14+
InChIKeyVKEAXIMFNWQZFA-YWLWZHKSSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (28704687)
ChEBI Ontology
Outgoing Relation(s)
(4E)-methyl 13-((16-(furan-3-yl) ethyl)-octahydro-7-hydroxy-4-((E)-23-methylbut-21-enyl)-2H-chromen-6-yl)-4-methylpent-4-enoate (CHEBI:215071) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
methyl (E)-5-[3-[2-(uran-2-yl)ethyl]-7-hydroxy-4-[(E)-3-methylbut-1-enyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-6-yl]-4-methylpent-4-enoate
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63002624ChemSpider