CHEBI:213638 - Blazeispirol V1

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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 V1
ChEBI ID CHEBI:213638
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H38O6
Net Charge 0
Average Mass 470.606
Monoisotopic Mass 470.26684
InChI InChI=1S/C28H38O6/c1-14-17-9-12-27(34-28(14)23(32)15(2)24(3,4)33-28)20-18(8-11-26(17,27)6)25(5)10-7-16(29)13-19(25)21(30)22(20)31/h8,11,13-15,17,21-23,30-32H,7,9-10,12H2,1-6H3/t14-,15-,17+,21-,22-,23+,25+,26+,27-,28-/m0/s1
InChIKey GKTIPUYIQKAQLI-LTGVEDDOSA-N
SMILES O=C1C=C2[C@](C3=C([C@]45O[C@@]6(OC(C)(C)[C@H]([C@H]6O)C)[C@@H](C)[C@H]([C@@]4(C)C=C3)CC5)[C@@H]([C@H]2O)O)(C)CC1
Metabolite of Species Details
Agaricus blazei (NCBI:txid79798) See: PubMed
ChEBI Ontology
Outgoing Blazeispirol V1 (CHEBI:213638) is a organic heterotricyclic compound (CHEBI:26979)
Blazeispirol V1 (CHEBI:213638) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,3S,3'R,4S,4'S,10R,14R,15R,16S,17S)-3,3',4-trihydroxy-4',5',5',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2(11),5,12-triene-17,2'-oxolane]-7-one
Manual Xref Database
78438041 ChemSpider
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