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CHEBI:197934 - Tricycloalternarene D

ChEBI IDCHEBI:197934
ChEBI NameTricycloalternarene D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O5
Net Charge0
Average Mass390.520
Monoisotopic Mass390.24062
SMILESCC(=O)COC(C)CCCC(C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3
InChIInChI=1S/C23H34O5/c1-14(6-5-7-16(3)27-13-15(2)24)17-10-11-23(4)19(17)12-18-21(28-23)9-8-20(25)22(18)26/h10,14,16,19-20,25H,5-9,11-13H2,1-4H3/t14?,16?,19-,20+,23+/m1/s1
InChIKeyJJJIYVRGEHVHMY-FSFYIAILSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1002/hlca.200890172)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene D (CHEBI:197934) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(3aS,7S,9aR)-7-hydroxy-3a-methyl-1-[6-(2-oxopropoxy)heptan-2-yl]-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
78440700ChemSpider