EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222063 - Calidoustene A

ChEBI IDCHEBI:222063
ChEBI NameCalidoustene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESCC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C/C=C/CO)C=C1COC(=O)[C@@]12O
InChIInChI=1S/C21H28O6/c1-19(2)9-7-10-20(3)17(19)15(27-16(23)8-5-4-6-11-22)12-14-13-26-18(24)21(14,20)25/h4-6,8,12,15,17,22,25H,7,9-11,13H2,1-3H3/b6-4+,8-5+/t15-,17+,20+,21+/m1/s1
InChIKeyDNRUQTVOVDWFFG-BEFOBABASA-N
Species of MetaboliteComponentSourceComments
Aspergillus calidoustus (ncbitaxon:454130) - PubMed (34468074)
ChEBI Ontology
Outgoing Relation(s)
Calidoustene A (CHEBI:222063) is a terpene lactone (CHEBI:37668)