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CHEBI:203937 - Preaustinoid B

ChEBI IDCHEBI:203937
ChEBI NamePreaustinoid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O6
Net Charge0
Average Mass444.568
Monoisotopic Mass444.25119
SMILESC=C1C2(C)CC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)C1(C(=O)OC)C(=O)[C@]2(O)C(C)=O
InChIInChI=1S/C26H36O6/c1-14-24(7)13-17-22(5)11-10-18(28)21(3,4)16(22)9-12-23(17,6)25(14,20(30)32-8)19(29)26(24,31)15(2)27/h16-17,31H,1,9-13H2,2-8H3/t16?,17?,22-,23+,24?,25?,26+/m0/s1
InChIKeyDXAQFFJRJPDSIQ-UFMKZKCMSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (12453515)
ChEBI Ontology
Outgoing Relation(s)
Preaustinoid B (CHEBI:203937) is a diterpenoid (CHEBI:23849)
IUPAC Name 
methyl (2R,10R,14R)-14-acetyl-14-hydroxy-2,6,6,10,13-pentamethyl-16-methylidene-7,15-dioxotetracyclo[11.2.1.02,11.05,10]hexadecane-1-carboxylate
Manual XrefsDatabases
8518885ChemSpider