EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205615 - Scedogiine C

ChEBI IDCHEBI:205615
ChEBI NameScedogiine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC[C@H]1C(=O)C=C2[C@H]1[C@H]1[C@@H](CC[C@]2(C)O)[C@@]1(C)CO
InChIInChI=1S/C15H22O3/c1-8-11(17)6-10-12(8)13-9(14(13,2)7-16)4-5-15(10,3)18/h6,8-9,12-13,16,18H,4-5,7H2,1-3H3/t8-,9+,12-,13+,14+,15-/m0/s1
InChIKeyLQOMZJVJJRAEIR-OPXNNSIXSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - DOI (10.1039/c6ra21142a)
ChEBI Ontology
Outgoing Relation(s)
Scedogiine C (CHEBI:205615) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,1aR,4S,7R,7aS,7bR)-4-hydroxy-1-(hydroxymethyl)-1,4,7-trimethyl-1a,2,3,7,7a,7b-hexahydrocyclopropa[e]azulen-6-one
Manual XrefsDatabases
60596870ChemSpider