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CHEBI:199505 - Heronamide A

ChEBI IDCHEBI:199505
ChEBI NameHeronamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39NO4
Net Charge0
Average Mass465.634
Monoisotopic Mass465.28791
SMILESCCC/C=C/C=C/C[C@@H]1C[C@H](O)[C@H]2[C@@H]3/C(C)=C/[C@H]4C=C[C@@H](O)[C@@H](O)[C@@H]4/C(C)=C/C=C\[C@@H]3C(=O)N12
InChIInChI=1S/C29H39NO4/c1-4-5-6-7-8-9-12-21-17-24(32)27-26-19(3)16-20-14-15-23(31)28(33)25(20)18(2)11-10-13-22(26)29(34)30(21)27/h6-11,13-16,20-28,31-33H,4-5,12,17H2,1-3H3/b7-6+,9-8+,13-10-,18-11+,19-16+/t20-,21-,22+,23-,24+,25-,26-,27+,28-/m1/s1
InChIKeyAPYNVIXJDXCVNV-RAAOCQATSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20733977)
ChEBI Ontology
Outgoing Relation(s)
Heronamide A (CHEBI:199505) is a cyclic ketone (CHEBI:3992)
Heronamide A (CHEBI:199505) is a organic heterobicyclic compound (CHEBI:27171)
Heronamide A (CHEBI:199505) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1S,2E,4R,7R,8S,9S,10E,12Z,14S,17R,19S,20R)-7,8,19-trihydroxy-2,10-dimethyl-17-[(2E,4E)-octa-2,4-dienyl]-16-azatetracyclo[12.6.0.04,9.016,20]icosa-2,5,10,12-tetraen-15-one
Manual XrefsDatabases
28945574ChemSpider