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CHEBI:215037 - Aspernidine H

ChEBI IDCHEBI:215037
ChEBI NameAspernidine H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H35NO6
Net Charge0
Average Mass457.567
Monoisotopic Mass457.24644
SMILESC=C(C)C(=O)CC/C(C)=C/CC/C(C)=C/COc1c(OC)cc2c(c1O)CN(CCO)C2=O
InChIInChI=1S/C26H35NO6/c1-17(2)22(29)10-9-18(3)7-6-8-19(4)11-14-33-25-23(32-5)15-20-21(24(25)30)16-27(12-13-28)26(20)31/h7,11,15,28,30H,1,6,8-10,12-14,16H2,2-5H3/b18-7+,19-11+
InChIKeyMRKMGEXDKRHLPD-QFHLTQOMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (31707275)
ChEBI Ontology
Outgoing Relation(s)
Aspernidine H (CHEBI:215037) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-hydroxy-2-(2-hydroxyethyl)-6-methoxy-5-[(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienoxy]-3H-isoindol-1-one