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CHEBI:173263 - Angelicolide

ChEBI IDCHEBI:173263
ChEBI NameAngelicolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O4
Net Charge0
Average Mass380.484
Monoisotopic Mass380.19876
SMILESCCCC1C(CCC)C2(OC(=O)C3=C2CCC=C3)C12OC(=O)C1=C2CCC=C1
InChIInChI=1S/C24H28O4/c1-3-9-19-20(10-4-2)24(18-14-8-6-12-16(18)22(26)28-24)23(19)17-13-7-5-11-15(17)21(25)27-23/h5-6,11-12,19-20H,3-4,7-10,13-14H2,1-2H3
InChIKeyLSDFCPDLBLFHAT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Angelicolide (CHEBI:173263) is a 2-benzofurans (CHEBI:38831)
Manual XrefsDatabases
HMDB0029317HMDB
432655ChemSpider
Registry NumbersSources
CAS:90826-58-7ChemIDplus