EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220751 - Blazeispirol I

ChEBI IDCHEBI:220751
ChEBI NameBlazeispirol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O5
Net Charge0
Average Mass414.542
Monoisotopic Mass414.24062
SMILESCOc1ccc2c(c1C)C=C[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](CO)[C@H]1O)[C@H]3C
InChIInChI=1S/C25H34O5/c1-14-16-9-11-23(5)17-10-12-24(23,18(16)7-8-20(14)28-6)30-25(15(17)2)21(27)19(13-26)22(3,4)29-25/h7-9,11,15,17,19,21,26-27H,10,12-13H2,1-6H3/t15-,17+,19-,21+,23+,24-,25-/m0/s1
InChIKeyZQFUYFFDPNJAJG-MGPHVKMZSA-N
Species of MetaboliteComponentSourceComments
Agaricus blazei (ncbitaxon:79798) - PubMed (12409027)
ChEBI Ontology
Outgoing Relation(s)
Blazeispirol I (CHEBI:220751) is a organic heterotricyclic compound (CHEBI:26979)
Blazeispirol I (CHEBI:220751) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,3'R,4'S,10R,11R,12S,13S)-4'-(hydroxymethyl)-5-methoxy-5',5',6,10,12-pentamethylspiro[14-oxatetracyclo[9.3.2.01,10.02,7]hexadeca-2(7),3,5,8-tetraene-13,2'-oxolane]-3'-ol
Manual XrefsDatabases
78437666ChemSpider