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CHEBI:217468 - Oxalicine B

ChEBI IDCHEBI:217468
ChEBI NameOxalicine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33NO7
Net Charge0
Average Mass519.594
Monoisotopic Mass519.22570
SMILESC=C(C)[C@]1(O)CC[C@]2(C)[C@H](CC=C(C)[C@]23Oc2cc(-c4cccnc4)oc(=O)c2[C@@H]3O)[C@@]12CCC(=O)OC2
InChIInChI=1S/C30H33NO7/c1-17(2)29(35)12-11-27(4)22(28(29)10-9-23(32)36-16-28)8-7-18(3)30(27)25(33)24-21(38-30)14-20(37-26(24)34)19-6-5-13-31-15-19/h5-7,13-15,22,25,33,35H,1,8-12,16H2,2-4H3/t22-,25-,27+,28-,29+,30+/m0/s1
InChIKeyGADSICAILMLRQB-GVRUMSNVSA-N
Species of MetaboliteComponentSourceComments
Penicillium thiersii (ncbitaxon:116978) - PubMed (15787428)
ChEBI Ontology
Outgoing Relation(s)
Oxalicine B (CHEBI:217468) is a terpene lactone (CHEBI:37668)
Manual XrefsDatabases
10216970ChemSpider