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CHEBI:219992 - Ganoboninone C

ChEBI IDCHEBI:219992
ChEBI NameGanoboninone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O8
Net Charge0
Average Mass516.631
Monoisotopic Mass516.27232
SMILESCCC(=O)CC[C@]1(C)OC[C@]23[C@@H](O)C(=O)C4=C(C(=O)C[C@@H]([C@@]5(C)CO5)[C@]4(C)CCC(=O)O)[C@]2(C)CC[C@@H]31
InChIInChI=1S/C29H40O8/c1-6-16(30)7-12-27(4)18-8-11-26(3)21-17(31)13-19(28(5)14-36-28)25(2,10-9-20(32)33)22(21)23(34)24(35)29(18,26)15-37-27/h18-19,24,35H,6-15H2,1-5H3,(H,32,33)/t18-,19-,24+,25+,26+,27+,28-,29+/m1/s1
InChIKeyQJWLLTKLFFIZIU-YEEGFRLSSA-N
Species of MetaboliteComponentSourceComments
Ganoderma boninense (ncbitaxon:34458) - DOI (10.1016/j.tet.2015.02.002)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ganoboninone C (CHEBI:219992) is a carbocyclic fatty acid (CHEBI:35744)
IUPAC Name 
3-[(1R,2R,5S,6R,10R,13S,14S)-2-hydroxy-5,10,14-trimethyl-6-[(2S)-2-methyloxiran-2-yl]-3,8-dioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.01,13.04,9]hexadec-4(9)-en-5-yl]propanoic acid
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