CHEBI:201875 - Burnettramic acid A aglycone

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ChEBI Name Burnettramic acid A aglycone
ChEBI ID CHEBI:201875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H61NO7
Net Charge 0
Average Mass 607.873
Monoisotopic Mass 607.44480
InChI InChI=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
InChIKey HNDKRVVXVFPDKH-UHFFFAOYSA-N
SMILES O=C1N2C(CC(C2)O)C(C1=C(O)C(CC(CCCCCCCC=CCC(O)CCCC(O)CCCCCCCO)C)C)=O
ChEBI Ontology
Outgoing 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
Manual Xref Database
103835322 ChemSpider
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