CHEBI:197610 - Blazeispirol X

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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 X
ChEBI ID CHEBI:197610
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H38O4
Net Charge 0
Average Mass 438.608
Monoisotopic Mass 438.27701
InChI InChI=1S/C28H38O4/c1-15-20-9-11-26(6)22-10-12-27(26,23(20)13-18-7-8-19(29)14-21(15)18)32-28(16(22)2)24(30)17(3)25(4,5)31-28/h9,11,13,16-17,19,22,24,29-30H,7-8,10,12,14H2,1-6H3/t16-,17-,19-,22+,24+,26+,27-,28-/m0/s1
InChIKey VBISPJCTWIICDB-RDCGBHQJSA-N
SMILES O1[C@@]2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C6C[C@@H](O)CCC6=C5)C)C=C4)CC3)C)C
Metabolite of Species Details
Agaricus blazei (NCBI:txid79798) See: DOI
ChEBI Ontology
Outgoing Blazeispirol X (CHEBI:197610) is a organic heterotricyclic compound (CHEBI:26979)
Blazeispirol X (CHEBI:197610) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,3'R,4'S,7S,14R,15R,16S,17S)-4',5',5',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.04,9]icosa-2(11),3,9,12-tetraene-17,2'-oxolane]-3',7-diol
Manual Xref Database
78436241 ChemSpider
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