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CHEBI:225425 - Memnobotrin A

ChEBI IDCHEBI:225425
ChEBI NameMemnobotrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO5
Net Charge0
Average Mass427.541
Monoisotopic Mass427.23587
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4c(O)cc5c(c4O[C@@]3(C)CC[C@H]2C1(C)C)CNC5=O
InChIInChI=1S/C25H33NO5/c1-13(27)30-20-7-8-24(4)18(23(20,2)3)6-9-25(5)19(24)11-15-17(28)10-14-16(21(15)31-25)12-26-22(14)29/h10,18-20,28H,6-9,11-12H2,1-5H3,(H,26,29)/t18-,19+,20-,24-,25-/m0/s1
InChIKeyICUVEGRXTWNIKO-BOWIAGTOSA-N
Species of MetaboliteComponentSourceComments
Memnoniella (ncbitaxon:80382) - PubMed (10656571)
ChEBI Ontology
Outgoing Relation(s)
Memnobotrin A (CHEBI:225425) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
[(1S,13R,14S,17S,19R)-10-hydroxy-1,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3,8,10-trien-17-yl] acetate
Manual XrefsDatabases
8749883ChemSpider