EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207670 - Nodulisporic acid F

ChEBI IDCHEBI:207670
ChEBI NameNodulisporic acid F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO3
Net Charge0
Average Mass435.608
Monoisotopic Mass435.27734
SMILESC/C(=C\CC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(nc4ccccc34)[C@@]12C)C(=O)O
InChIInChI=1S/C28H37NO3/c1-17(25(31)32)8-7-14-26(2)22-12-11-18-16-20-19-9-5-6-10-21(19)29-24(20)28(18,4)27(22,3)15-13-23(26)30/h5-6,8-10,18,22-23,29-30H,7,11-16H2,1-4H3,(H,31,32)/b17-8+/t18-,22-,23-,26-,27-,28+/m0/s1
InChIKeyFYZYVTHTMPXJHJ-UOOBVZAFSA-N
Species of MetaboliteComponentSourceComments
Nodulisporiumspecies (ncbitaxon:1897413) - PubMed (15387649)
ChEBI Ontology
Outgoing Relation(s)
Nodulisporic acid F (CHEBI:207670) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(E)-5-[(1S,12S,15R,16S,17S,20S)-17-hydroxy-1,16,20-trimethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-16-yl]-2-methylpent-2-enoic acid
Manual XrefsDatabases
9456981ChemSpider