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CHEBI:199618 - 15-deoxyoxalicine A

ChEBI IDCHEBI:199618
ChEBI Name15-deoxyoxalicine A
Stars
Last Modified29 July 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33NO5
Net Charge0
Average Mass487.596
Monoisotopic Mass487.23587
SMILESC=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C(C)[C@@]23Cc2c(cc(-c4cccnc4)oc2=O)O3)[C@@]12CCC(=O)OC2
InChIInChI=1S/C30H33NO5/c1-18(2)22-9-11-28(4)25(29(22)12-10-26(32)34-17-29)8-7-19(3)30(28)15-21-24(36-30)14-23(35-27(21)33)20-6-5-13-31-16-20/h5-7,13-14,16,22,25H,1,8-12,15,17H2,2-4H3/t22-,25-,28+,29+,30-/m0/s1
InChIKeyCJORFNNKBJQFSW-URPBTUBFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (15787428)
ChEBI Ontology
Outgoing Relation(s)
15-deoxyoxalicine A (CHEBI:199618) is a terpene lactone (CHEBI:37668)
Manual XrefsDatabases
21593947PubChem Compound
10216971ChemSpider