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CHEBI:213491 - Pleurospiroketal B

ChEBI IDCHEBI:213491
ChEBI NamePleurospiroketal B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC=C1[C@H]2CC[C@](C)(O)[C@H](O)[C@H]2O[C@]12OC(C)(C)CC2=O
InChIInChI=1S/C15H22O5/c1-8-9-5-6-14(4,18)12(17)11(9)19-15(8)10(16)7-13(2,3)20-15/h9,11-12,17-18H,1,5-7H2,2-4H3/t9-,11+,12-,14+,15+/m1/s1
InChIKeyCGGUBAHKCIBSDD-OGGHUHLFSA-N
Species of MetaboliteComponentSourceComments
Pleurotus cornucopiae (ncbitaxon:5321) - PubMed (23294419)
ChEBI Ontology
Outgoing Relation(s)
Pleurospiroketal B (CHEBI:213491) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2S,3aR,6S,7R,7aS)-6,7-dihydroxy-5',5',6-trimethyl-3-methylidenespiro[4,5,7,7a-tetrahydro-3aH-1-benzouran-2,2'-oxolane]-3'-one
Manual XrefsDatabases
29420391ChemSpider