EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223493 - 11beta-hydroxycolobetaolactone VIII

Default Structure
ChEBI IDCHEBI:223493
ChEBI Name11beta-hydroxycolobetaolactone VIII
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O8
Net Charge0
Average Mass554.680
Monoisotopic Mass554.28797
SMILESCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@H]2OC(=O)C(C)=C[C@@H]2O)[C@@]2(C)C[C@H](O)C3=C(CC[C@@H]4C(=C3)C=CC(=O)OC4(C)C)[C@]12C
InChIInChI=1S/C32H42O8/c1-16-12-24(34)28(39-29(16)37)17(2)23-14-26(38-18(3)33)32(7)22-10-9-21-19(8-11-27(36)40-30(21,4)5)13-20(22)25(35)15-31(23,32)6/h8,11-13,17,21,23-26,28,34-35H,9-10,14-15H2,1-7H3/t17-,21+,23+,24-,25-,26+,28+,31+,32+/m0/s1
InChIKeyPCGUGQRTGUZDOZ-GZBKHGNRSA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
11beta-hydroxycolobetaolactone VIII (CHEBI:223493) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(9R,13R,14R,16R,17R,19S)-19-hydroxy-16-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate
Manual XrefsDatabases
128443714ChemSpider