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CHEBI:214805 - Fendlerinine B

ChEBI IDCHEBI:214805
ChEBI NameFendlerinine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO8
Net Charge0
Average Mass517.619
Monoisotopic Mass517.26757
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(CC(=O)O)C2=O
InChIInChI=1S/C28H39NO8/c1-15-22(36-6)21(25(33)34)16-12-29(13-19(30)31)24(32)20(16)23(15)37-14-18-27(4)10-7-9-26(2,3)17(27)8-11-28(18,5)35/h17-18,35H,7-14H2,1-6H3,(H,30,31)(H,33,34)/t17-,18+,27-,28+/m0/s1
InChIKeyPXDWLLNSVIWIRA-UZLXAVLXSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (28384525)
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 B (CHEBI:214805) 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]-2-(carboxymethyl)-5-methoxy-6-methyl-1-oxo-3H-isoindole-4-carboxylic acid
Manual XrefsDatabases
78442153ChemSpider