EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200453 - Tramspiroin C

ChEBI IDCHEBI:200453
ChEBI NameTramspiroin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESCC1=C[C@@]2(C[C@H]1O)[C@@H](C)CC[C@@H]1[C@H](C)CO[C@@H]12
InChIInChI=1S/C15H24O2/c1-9-6-15(7-13(9)16)11(3)4-5-12-10(2)8-17-14(12)15/h6,10-14,16H,4-5,7-8H2,1-3H3/t10-,11+,12-,13-,14+,15-/m1/s1
InChIKeyIAEABCWVVYXBSR-ZAQNNHEOSA-N
Species of MetaboliteComponentSourceComments
Trametes versicolor (ncbitaxon:5325) - PubMed (26136058)
ChEBI Ontology
Outgoing Relation(s)
Tramspiroin C (CHEBI:200453) is a benzofurans (CHEBI:35259)
IUPAC Name 
(1'R,3S,3aR,6S,7R,7aS)-2',3,6-trimethylspiro[3,3a,4,5,6,7a-hexahydro-2H-1-benzouran-7,4'-cyclopent-2-ene]-1'-ol
Manual XrefsDatabases
78442282ChemSpider