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CHEBI:203086 - Blazeispirol U

ChEBI IDCHEBI:203086
ChEBI NameBlazeispirol U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O4
Net Charge0
Average Mass436.592
Monoisotopic Mass436.26136
SMILESC[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=CC1=C3C=CC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C28H36O4/c1-16-20-11-14-27(32-28(16)23(30)17(2)24(3,4)31-28)22-8-7-18-15-19(29)9-12-25(18,5)21(22)10-13-26(20,27)6/h7-8,10,13,15-17,20,23,30H,9,11-12,14H2,1-6H3/t16-,17-,20+,23+,25-,26+,27-,28-/m0/s1
InChIKeyYOKQBCLMOKKBED-AJZAVILDSA-N
Species of MetaboliteComponentSourceComments
Agaricus blazei (ncbitaxon:79798) - PubMed (12409027)
ChEBI Ontology
Outgoing Relation(s)
Blazeispirol U (CHEBI:203086) is a organic heterotricyclic compound (CHEBI:26979)
Blazeispirol U (CHEBI:203086) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,3'R,4'S,10S,14R,15R,16S,17S)-3'-hydroxy-4',5',5',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2(11),3,5,12-tetraene-17,2'-oxolane]-7-one
Manual XrefsDatabases
78436957ChemSpider