EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211433 - Fendlerinine G

ChEBI IDCHEBI:211433
ChEBI NameFendlerinine G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO6
Net Charge0
Average Mass459.583
Monoisotopic Mass459.26209
SMILESCOc1c(C)c(OC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c2c(c1C(=O)O)C(=O)NC2
InChIInChI=1S/C26H37NO6/c1-14-20(15-12-27-22(28)18(15)19(23(29)30)21(14)32-6)33-13-17-25(4)10-7-9-24(2,3)16(25)8-11-26(17,5)31/h16-17,31H,7-13H2,1-6H3,(H,27,28)(H,29,30)/t16-,17+,25-,26+/m0/s1
InChIKeyYZFWGIKUFWHHBE-IMCRMFDQSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (31476402)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Fendlerinine G (CHEBI:211433) is a methoxybenzoic acid (CHEBI:25238)
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]-5-methoxy-6-methyl-3-oxo-1,2-dihydroisoindole-4-carboxylic acid