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CHEBI:222699 - Fornicatin A

ChEBI IDCHEBI:222699
ChEBI NameFornicatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O7
Net Charge0
Average Mass476.610
Monoisotopic Mass476.27740
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@](C)(CCC(=O)O)[C@H]1C[C@@H]3O[C@]1(C)CO
InChIInChI=1S/C27H40O7/c1-15(6-7-20(30)31)16-8-11-25(3)23-18-12-19(27(5,14-28)34-18)24(2,10-9-21(32)33)22(23)17(29)13-26(16,25)4/h15-16,18-19,28H,6-14H2,1-5H3,(H,30,31)(H,32,33)/t15-,16-,18+,19-,24+,25+,26-,27-/m1/s1
InChIKeyIABFUGDOHOVCEJ-MHSARYRJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma fornicatum (ncbitaxon:36071) - DOI (10.1016/j.tetlet.2004.02.056)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Fornicatin A (CHEBI:222699) is a carbocyclic fatty acid (CHEBI:35744)
IUPAC Name 
(4R)-4-[(1S,3R,6R,7R,11S,12R,13S)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.02,10.03,7]pentadec-2(10)-en-6-yl]pentanoic acid
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