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CHEBI:212489 - Usimine A

ChEBI IDCHEBI:212489
ChEBI NameUsimine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H25NO10
Net Charge0
Average Mass487.461
Monoisotopic Mass487.14785
SMILESCOC(=O)CC[C@H](NC(C)=C1C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O)C(=O)O
InChIInChI=1S/C24H25NO10/c1-9-19(29)17(11(3)26)21-18(20(9)30)24(4)14(35-21)8-13(27)16(22(24)31)10(2)25-12(23(32)33)6-7-15(28)34-5/h8,12,25,29-30H,6-7H2,1-5H3,(H,32,33)/t12-,24-/m0/s1
InChIKeyKSWPDJNHLSRGKZ-MCFWBGNESA-N
Species of MetaboliteComponentSourceComments
Stereocaulon alpinum (ncbitaxon:350623) - PubMed (18288807)
ChEBI Ontology
Outgoing Relation(s)
Usimine A (CHEBI:212489) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
(2S)-2-[1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzouran-2-ylidene]ethylamino]-5-methoxy-5-oxopentanoic acid
Manual XrefsDatabases
34890614ChemSpider