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CHEBI:181300 - Tricycloalternarene 2b

ChEBI IDCHEBI:181300
ChEBI NameTricycloalternarene 2b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESC/C(=C\CCC(C)C1=CCC2(C)OC3=C(CC12)C(=O)C(O)CC3)CO
InChIInChI=1S/C21H30O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-19(25-21)8-7-18(23)20(16)24/h5,9,14,17-18,22-23H,4,6-8,10-12H2,1-3H3/b13-5+
InChIKeyKOATXBNOVXBDJE-WLRTZDKTSA-N
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 2b (CHEBI:181300) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
7-hydroxy-1-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
4947479ChemSpider
Registry NumbersSources
CAS:103873-59-2ChemIDplus