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CHEBI:204362 - Memnobotrin B

ChEBI IDCHEBI:204362
ChEBI NameMemnobotrin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO6
Net Charge0
Average Mass471.594
Monoisotopic Mass471.26209
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4c(O)cc5c(c4O[C@@]3(C)CC[C@H]2C1(C)C)CN(CCO)C5=O
InChIInChI=1S/C27H37NO6/c1-15(30)33-22-7-8-26(4)20(25(22,2)3)6-9-27(5)21(26)13-17-19(31)12-16-18(23(17)34-27)14-28(10-11-29)24(16)32/h12,20-22,29,31H,6-11,13-14H2,1-5H3/t20-,21+,22-,26-,27-/m0/s1
InChIKeyLKNLQLIREMZEIR-BUENMJANSA-N
Species of MetaboliteComponentSourceComments
Memnoniella (ncbitaxon:80382) - PubMed (10656571)
ChEBI Ontology
Outgoing Relation(s)
Memnobotrin B (CHEBI:204362) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
[(1S,13R,14S,17S,19R)-10-hydroxy-6-(2-hydroxyethyl)-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
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8918361ChemSpider