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CHEBI:220050 - Heronamide B

ChEBI IDCHEBI:220050
ChEBI NameHeronamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39NO3
Net Charge0
Average Mass449.635
Monoisotopic Mass449.29299
SMILESCCC/C=C/C=C/C[C@@H]1C[C@@H]2/C=C/C(C)=C/[C@@H]3C=C[C@H](O)[C@H](O)[C@H]3/C(C)=C/C=C/[C@H]2C(=O)N1
InChIInChI=1S/C29H39NO3/c1-4-5-6-7-8-9-12-24-19-22-15-14-20(2)18-23-16-17-26(31)28(32)27(23)21(3)11-10-13-25(22)29(33)30-24/h6-11,13-18,22-28,31-32H,4-5,12,19H2,1-3H3,(H,30,33)/b7-6+,9-8+,13-10+,15-14+,20-18+,21-11+/t22-,23-,24+,25+,26-,27-,28-/m0/s1
InChIKeySBSRDDBYEIPHHD-DBJJYDABSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20733977)
ChEBI Ontology
Outgoing Relation(s)
Heronamide B (CHEBI:220050) is a azamacrocycle (CHEBI:52898)
Heronamide B (CHEBI:220050) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1R,2E,4E,6R,9R,11R,12E,14E,16S,19S,20R)-19,20-dihydroxy-2,14-dimethyl-9-[(2E,4E)-octa-2,4-dienyl]-8-azatricyclo[14.4.0.06,11]icosa-2,4,12,14,17-pentaen-7-one
Manual XrefsDatabases
27025114ChemSpider