CHEBI:220751 - Blazeispirol I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Blazeispirol I
ChEBI ID CHEBI:220751
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C25H34O5
Net Charge 0
Average Mass 414.542
Monoisotopic Mass 414.24062
InChI InChI=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
InChIKey ZQFUYFFDPNJAJG-MGPHVKMZSA-N
SMILES O1[C@@]2(OC(C)(C)[C@H]([C@H]2O)CO)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)C)C=C4)CC3)C)C
Metabolite of Species Details
Agaricus blazei (NCBI:txid79798) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78437666 ChemSpider
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