EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224354 - Oxalicine A

ChEBI IDCHEBI:224354
ChEBI NameOxalicine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33NO6
Net Charge0
Average Mass503.595
Monoisotopic Mass503.23079
SMILESC=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C(C)[C@]23Oc2cc(-c4cccnc4)oc(=O)c2[C@@H]3O)[C@@]12CCC(=O)OC2
InChIInChI=1S/C30H33NO6/c1-17(2)20-9-11-28(4)23(29(20)12-10-24(32)35-16-29)8-7-18(3)30(28)26(33)25-22(37-30)14-21(36-27(25)34)19-6-5-13-31-15-19/h5-7,13-15,20,23,26,33H,1,8-12,16H2,2-4H3/t20-,23-,26-,28+,29+,30+/m0/s1
InChIKeyHYMLFCZXNWRIQS-RZUCXZKQSA-N
Species of MetaboliteComponentSourceComments
Penicillium thiersii (ncbitaxon:116978) - PubMed (15787428)
ChEBI Ontology
Outgoing Relation(s)
Oxalicine A (CHEBI:224354) is a terpene lactone (CHEBI:37668)
Manual XrefsDatabases
10216969ChemSpider