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CHEBI:214820 - Fendlerinine D

ChEBI IDCHEBI:214820
ChEBI NameFendlerinine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H45NO10
Net Charge0
Average Mass603.709
Monoisotopic Mass603.30435
SMILESCOC(=O)CCC(C(=O)O)N1Cc2c(C(=O)O)c(OC)c(C)c(OC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)O)c2C1=O
InChIInChI=1S/C32H45NO10/c1-17-25(42-7)24(29(38)39)18-15-33(19(28(36)37)9-10-22(34)41-6)27(35)23(18)26(17)43-16-21-31(4)13-8-12-30(2,3)20(31)11-14-32(21,5)40/h19-21,40H,8-16H2,1-7H3,(H,36,37)(H,38,39)/t19?,20-,21+,31-,32+/m0/s1
InChIKeyPALBPVRMTKSGLH-ZAGWIWKWSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (28384525)
ChEBI Ontology
Outgoing Relation(s)
Fendlerinine D (CHEBI:214820) is a glutamic acid derivative (CHEBI:24315)
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-4-methoxy-4-oxobutyl)-5-methoxy-6-methyl-1-oxo-3H-isoindole-4-carboxylic acid
Manual XrefsDatabases
78442155ChemSpider