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CHEBI:226542 - Nigrosirpexin B

Default Structure
ChEBI IDCHEBI:226542
ChEBI NameNigrosirpexin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESC=C[C@@H]1CC(C)(C)CC1=C(COC(=O)CCC(=O)OC)[C@H]1COC(=O)C1
InChIInChI=1S/C20H28O6/c1-5-13-9-20(2,3)10-15(13)16(14-8-19(23)25-11-14)12-26-18(22)7-6-17(21)24-4/h5,13-14H,1,6-12H2,2-4H3/t13-,14-/m1/s1
InChIKeySXGMCFLNDPOGJL-ZIAGYGMSSA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - PubMed (32401511)
ChEBI Ontology
Outgoing Relation(s)
Nigrosirpexin B (CHEBI:226542) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
4-O-[2-[(2S)-2-ethenyl-4,4-dimethylcyclopentylidene]-2-[(3S)-5-oxooxolan-3-yl]ethyl] 1-O-methyl butanedioate