EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216954 - Morelsin A

ChEBI IDCHEBI:216954
ChEBI NameMorelsin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESC[C@@H]1[C@H](O)C[C@@H](CO)C(CO)=C2CC(C)(C)C[C@@H]21
InChIInChI=1S/C15H26O3/c1-9-11-5-15(2,3)6-12(11)13(8-17)10(7-16)4-14(9)18/h9-11,14,16-18H,4-8H2,1-3H3/t9-,10-,11+,14+/m0/s1
InChIKeyGPDUBFUNTPFFDM-KZWBYHQPSA-N
Species of MetaboliteComponentSourceComments
Morchella importuna (ncbitaxon:1174673) - DOI (10.1016/j.tet.2020.131356)
ChEBI Ontology
Outgoing Relation(s)
Morelsin A (CHEBI:216954) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3aR,4S,5R,7R)-7,8-bis(hydroxymethyl)-2,2,4-trimethyl-3,3a,4,5,6,7-hexahydro-1H-azulen-5-ol