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CHEBI:209729 - Tramspiroin A

ChEBI IDCHEBI:209729
ChEBI NameTramspiroin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=C[C@@]2(C[C@H]1O)[C@@H](C)CC[C@@H]1[C@H](C)C(=O)O[C@@H]12
InChIInChI=1S/C15H22O3/c1-8-6-15(7-12(8)16)9(2)4-5-11-10(3)14(17)18-13(11)15/h6,9-13,16H,4-5,7H2,1-3H3/t9-,10-,11+,12+,13-,15+/m0/s1
InChIKeyYFEHCRSOHCIZLB-JSXSYOHWSA-N
Species of MetaboliteComponentSourceComments
Trametes versicolor (ncbitaxon:5325) - PubMed (26136058)
ChEBI Ontology
Outgoing Relation(s)
Tramspiroin A (CHEBI:209729) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S,3aR,5'R,6S,7R,7aS)-5'-hydroxy-1',3,6-trimethylspiro[3,3a,4,5,6,7a-hexahydro-1-benzouran-7,3'-cyclopentene]-2-one
Manual XrefsDatabases
78442351ChemSpider