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CHEBI:201875 - Burnettramic acid A aglycone

ChEBI IDCHEBI:201875
ChEBI NameBurnettramic acid A aglycone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H61NO7
Net Charge0
Average Mass607.873
Monoisotopic Mass607.44480
SMILESCC(CCCCCCCC=CCC(O)CCCC(O)CCCCCCCO)CC(C)C(O)=C1C(=O)C2CC(O)CN2C1=O
InChIInChI=1S/C35H61NO7/c1-26(23-27(2)33(41)32-34(42)31-24-30(40)25-36(31)35(32)43)17-12-8-5-3-4-6-9-13-18-28(38)20-16-21-29(39)19-14-10-7-11-15-22-37/h9,13,26-31,37-41H,3-8,10-12,14-25H2,1-2H3
InChIKeyHNDKRVVXVFPDKH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Burnettramic acid A aglycone (CHEBI:201875) is a cyclic ketone (CHEBI:3992)
Burnettramic acid A aglycone (CHEBI:201875) is a organic heterobicyclic compound (CHEBI:27171)
Burnettramic acid A aglycone (CHEBI:201875) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(2Z,6R,8S)-6-hydroxy-2-[(E,2S,4R,15R,19R)-1,15,19,26-tetrahydroxy-2,4-dimethylhexacos-12-enylidene]-5,6,7,8-tetrahydropyrrolizine-1,3-dione
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