EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208927 - Brasilianoid D

ChEBI IDCHEBI:208927
ChEBI NameBrasilianoid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O7
Net Charge0
Average Mass462.583
Monoisotopic Mass462.26175
SMILESC=C1[C@@]2(C)C[C@H]3[C@](C)(CCC(=O)OC)[C@@H](C(C)(C)O)CC[C@]3(C)[C@@]13C(=O)O[C@@H](C)[C@@]3(O)C2=O
InChIInChI=1S/C26H38O7/c1-14-23(6)13-17-22(5,11-10-18(27)32-8)16(21(3,4)30)9-12-24(17,7)25(14)20(29)33-15(2)26(25,31)19(23)28/h15-17,30-31H,1,9-13H2,2-8H3/t15-,16+,17-,22+,23+,24-,25-,26+/m0/s1
InChIKeyDZWRLKXOLCEPOT-WDGQQCRXSA-N
Species of MetaboliteComponentSourceComments
Penicillium brasilianum (ncbitaxon:104259) - PubMed (30101144)
ChEBI Ontology
Outgoing Relation(s)
Brasilianoid D (CHEBI:208927) is a terpene lactone (CHEBI:37668)
IUPAC Name 
methyl 3-[(1R,2S,5S,6S,7S,9R,11R,12S)-11-hydroxy-5-(2-hydroxypropan-2-yl)-2,6,9,12-tetramethyl-15-methylidene-10,14-dioxo-13-oxatetracyclo[7.5.1.01,11.02,7]pentadecan-6-yl]propanoate
Manual XrefsDatabases
71048619ChemSpider