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CHEBI:211482 - Fendlerin C

ChEBI IDCHEBI:211482
ChEBI NameFendlerin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O8
Net Charge0
Average Mass490.593
Monoisotopic Mass490.25667
SMILESCOC(=O)c1c(OC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c(C)c(OC)c2c1C(O)OC2=O
InChIInChI=1S/C27H38O8/c1-14-20(32-6)18-17(23(29)35-24(18)30)19(22(28)33-7)21(14)34-13-16-26(4)11-8-10-25(2,3)15(26)9-12-27(16,5)31/h15-16,23,29,31H,8-13H2,1-7H3/t15-,16+,23?,26-,27+/m0/s1
InChIKeyJTZRGALJGAWNLX-GRFPXVQNSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (31476402)
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Fendlerin C (CHEBI:211482) is a phthalate ester (CHEBI:35484)
IUPAC Name 
methyl 5-[[(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-7-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-carboxylate