EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210257 - Asperterpene H

ChEBI IDCHEBI:210257
ChEBI NameAsperterpene H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O8
Net Charge0
Average Mass488.577
Monoisotopic Mass488.24102
SMILESC=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OCC)C(=O)[C@]12C
InChIInChI=1S/C27H36O8/c1-9-34-22(33)27(8)21(32)25(6)13(2)12-14-24(5)11-10-15(28)23(3,4)17(24)16(29)19(30)26(14,7)18(25)20(31)35-27/h14,17-19,30H,2,9-12H2,1,3-8H3/t14-,17+,18-,19+,24-,25+,26-,27-/m0/s1
InChIKeyOTOPJMIRVXJOPK-DIEBFMLZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (30207465)
ChEBI Ontology
Outgoing Relation(s)
Asperterpene H (CHEBI:210257) is a oxo steroid (CHEBI:35789)
IUPAC Name 
ethyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate
Manual XrefsDatabases
78439134ChemSpider