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CHEBI:218221 - Tricycloalternarene B

ChEBI IDCHEBI:218221
ChEBI NameTricycloalternarene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O5
Net Charge0
Average Mass388.504
Monoisotopic Mass388.22497
SMILESCC(=O)OC/C(C)=C/CCC(C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3
InChIInChI=1S/C23H32O5/c1-14(13-27-16(3)24)6-5-7-15(2)17-10-11-23(4)19(17)12-18-21(28-23)9-8-20(25)22(18)26/h6,10,15,19-20,25H,5,7-9,11-13H2,1-4H3/b14-6+/t15?,19-,20+,23+/m1/s1
InChIKeyVGHJOPSBAYWMSB-ZMLYTDBKSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1002/hlca.200890172)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene B (CHEBI:218221) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(E)-6-[(3aS,7S,9aR)-7-hydroxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl]-2-methylhept-2-enyl] acetate
Manual XrefsDatabases
78441167ChemSpider