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CHEBI:205406 - Gymnastatin H

ChEBI IDCHEBI:205406
ChEBI NameGymnastatin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO4
Net Charge0
Average Mass401.547
Monoisotopic Mass401.25661
SMILESCCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C24H35NO4/c1-5-6-7-8-9-18(2)16-19(3)10-15-23(27)25-22(24(28)29-4)17-20-11-13-21(26)14-12-20/h10-16,18,22,26H,5-9,17H2,1-4H3,(H,25,27)/b15-10+,19-16+/t18-,22+/m1/s1
InChIKeyGGAGAVWBROLYIO-UHGNHMIBSA-N
Species of MetaboliteComponentSourceComments
Gymnascella dankaliensis (ncbitaxon:166389) - PubMed (17067147)
ChEBI Ontology
Outgoing Relation(s)
Gymnastatin H (CHEBI:205406) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
methyl (2S)-2-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)propanoate
Manual XrefsDatabases
10481524ChemSpider