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CHEBI:214799 - Fendlerinine A

ChEBI IDCHEBI:214799
ChEBI NameFendlerinine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O8
Net Charge0
Average Mass476.566
Monoisotopic Mass476.24102
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)OC2=O
InChIInChI=1S/C26H36O8/c1-13-19(32-6)17(21(27)28)16-18(23(30)34-22(16)29)20(13)33-12-15-25(4)10-7-9-24(2,3)14(25)8-11-26(15,5)31/h14-15,22,29,31H,7-12H2,1-6H3,(H,27,28)/t14-,15+,22?,25-,26+/m0/s1
InChIKeyVXXREXCZEJDFCH-FIKUTGHZSA-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 A (CHEBI:214799) is a 2-hydroxyisophthalic acid (CHEBI:19643)
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]-3-hydroxy-5-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-carboxylic acid
Manual XrefsDatabases
78442151ChemSpider