EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200162 - Pileotin A

ChEBI IDCHEBI:200162
ChEBI NamePileotin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33NO7
Net Charge0
Average Mass519.594
Monoisotopic Mass519.22570
SMILESC=C(C)[C@]1(O)CC[C@@]2(C)C3=Cc4c(cc(-c5cccnc5)oc4=O)O[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]12CCC(=O)OC2
InChIInChI=1S/C30H33NO7/c1-17(2)30(35)10-9-27(3)22-12-19-21(13-20(37-26(19)34)18-6-5-11-31-15-18)38-28(22,4)24(32)14-23(27)29(30)8-7-25(33)36-16-29/h5-6,11-13,15,23-24,32,35H,1,7-10,14,16H2,2-4H3/t23-,24-,27-,28+,29-,30+/m0/s1
InChIKeyGHODSEBRMSIFPD-WKFBYQISSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/j.tetlet.2012.05.144)
ChEBI Ontology
Outgoing Relation(s)
Pileotin A (CHEBI:200162) is a organic heterotricyclic compound (CHEBI:26979)
Pileotin A (CHEBI:200162) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R,5R,6R,7S,9S,10R)-5,9-dihydroxy-2,10-dimethyl-5-prop-1-en-2-yl-14-pyridin-3-ylspiro[11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12(17),13-triene-6,5'-oxane]-2',16-dione
Manual XrefsDatabases
28533946ChemSpider