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CHEBI:214764 - Fendlerinine E

ChEBI IDCHEBI:214764
ChEBI NameFendlerinine E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H47NO8
Net Charge0
Average Mass573.727
Monoisotopic Mass573.33017
SMILESCOc1c(C)c(OC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c2c(c1C(=O)O)CN(C(CC(C)C)C(=O)O)C2=O
InChIInChI=1S/C32H47NO8/c1-17(2)14-20(28(35)36)33-15-19-23(27(33)34)26(18(3)25(40-8)24(19)29(37)38)41-16-22-31(6)12-9-11-30(4,5)21(31)10-13-32(22,7)39/h17,20-22,39H,9-16H2,1-8H3,(H,35,36)(H,37,38)/t20?,21-,22+,31-,32+/m0/s1
InChIKeyCIYABSMLBRKZJF-NNVIOQILSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (28384525)
ChEBI Ontology
Outgoing Relation(s)
Fendlerinine E (CHEBI:214764) is a leucine derivative (CHEBI:47003)
IUPAC Name 
7-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-2-(1-carboxy-3-methylbutyl)-5-methoxy-6-methyl-1-oxo-3H-isoindole-4-carboxylic acid
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78442149ChemSpider