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CHEBI:214814 - Fendlerinine C

ChEBI IDCHEBI:214814
ChEBI NameFendlerinine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H43NO10
Net Charge0
Average Mass589.682
Monoisotopic Mass589.28870
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(CCC(=O)O)C(=O)O)C2=O
InChIInChI=1S/C31H43NO10/c1-16-24(41-6)23(28(38)39)17-14-32(18(27(36)37)8-9-21(33)34)26(35)22(17)25(16)42-15-20-30(4)12-7-11-29(2,3)19(30)10-13-31(20,5)40/h18-20,40H,7-15H2,1-6H3,(H,33,34)(H,36,37)(H,38,39)/t18?,19-,20+,30-,31+/m0/s1
InChIKeyXEJKXOPDHNLWQT-VJYBYOHASA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (28384525)
ChEBI Ontology
Outgoing Relation(s)
Fendlerinine C (CHEBI:214814) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
2-[4-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-7-carboxy-6-methoxy-5-methyl-3-oxo-1H-isoindol-2-yl]pentanedioic acid
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