EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213898 - Tricycloalternarene X

ChEBI IDCHEBI:213898
ChEBI NameTricycloalternarene X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O6
Net Charge0
Average Mass406.519
Monoisotopic Mass406.23554
SMILESCC(=O)OCC(C)CCCC(C)C1=C2CC3=C(CC[C@H](O)C3=O)O[C@@]2(C)C[C@H]1O
InChIInChI=1S/C23H34O6/c1-13(12-28-15(3)24)6-5-7-14(2)21-17-10-16-20(9-8-18(25)22(16)27)29-23(17,4)11-19(21)26/h13-14,18-19,25-26H,5-12H2,1-4H3/t13?,14?,18-,19+,23-/m0/s1
InChIKeyUXKONJPVFRFOST-FRLSFYDFSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (32330576)
Alternariaspecies (ncbitaxon:1715220) - PubMed (32372483)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene X (CHEBI:213898) is a sesquiterpenoid (CHEBI:26658)
IUPAC Names 
[6-[(2R,3aS,7S)-2,7-dihydroxy-3a-methyl-8-oxo-2,3,5,6,7,9-hexahydrocyclopenta[b]chromen-1-yl]-2-methylheptyl] acetate
(2E)-6-[(1R,3aR,5S,9aS)-5-hydroxy-3a-methyl-8-oxo-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-1-yl]-2-methylhepta-2,6-dienal
Manual XrefsDatabases
86596098ChemSpider