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CHEBI:215064 - Methyl 3-(4,5,6,8,8a,9-hexahydro-4-((E)-3-methylpent-1-enyl)-4H-furo[3,2-g]isochromen-6-yl)propanoate

ChEBI IDCHEBI:215064
ChEBI NameMethyl 3-(4,5,6,8,8a,9-hexahydro-4-((E)-3-methylpent-1-enyl)-4H-furo[3,2-g]isochromen-6-yl)propanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESCCC(C)/C=C/[C@H]1c2ccoc2C[C@@H]2CO[C@@H](CCC(=O)OC)C[C@H]21
InChIInChI=1S/C21H30O4/c1-4-14(2)5-7-17-18-9-10-24-20(18)11-15-13-25-16(12-19(15)17)6-8-21(22)23-3/h5,7,9-10,14-17,19H,4,6,8,11-13H2,1-3H3/b7-5+/t14?,15-,16+,17+,19-/m1/s1
InChIKeyLBBXLAVURLOGQS-OVHXUYRLSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (28704687)
ChEBI Ontology
Outgoing Relation(s)
Methyl 3-(4,5,6,8,8a,9-hexahydro-4-((E)-3-methylpent-1-enyl)-4H-furo[3,2-g]isochromen-6-yl)propanoate (CHEBI:215064) is a benzofurans (CHEBI:35259)
IUPAC Name 
methyl 3-[(4R,4aS,6S,8aS)-4-[(E)-3-methylpent-1-enyl]-4a,5,6,8,8a,9-hexahydro-4H-uro[3,2-g]isochromen-6-yl]propanoate
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78442233ChemSpider