EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199566 - Nodulisporisteroid D

ChEBI IDCHEBI:199566
ChEBI NameNodulisporisteroid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O4
Net Charge0
Average Mass376.537
Monoisotopic Mass376.26136
SMILESCOC(=O)CC[C@]1(C)C2=C(CC[C@H]1[C@H](C)O)[C@@H]1CC[C@H](C(C)=O)[C@@]1(C)CC2
InChIInChI=1S/C23H36O4/c1-14(24)17-7-6-16-19-9-8-18(15(2)25)22(19,3)12-10-20(16)23(17,4)13-11-21(26)27-5/h14,17-19,24H,6-13H2,1-5H3/t14-,17-,18+,19-,22+,23-/m0/s1
InChIKeyAYPDMGOMQQLQMP-ICSJKIKGSA-N
Species of MetaboliteComponentSourceComments
Nodulisporium (ncbitaxon:96453) - PubMed (26254609)
ChEBI Ontology
Outgoing Relation(s)
Nodulisporisteroid D (CHEBI:199566) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl 3-[(3S,3aS,6S,7R,9bR)-3-acetyl-7-[(1S)-1-hydroxyethyl]-3a,6-dimethyl-2,3,4,5,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
Manual XrefsDatabases
78443370ChemSpider