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CHEBI:220062 - Ganoboninone E

ChEBI IDCHEBI:220062
ChEBI NameGanoboninone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O7
Net Charge0
Average Mass500.632
Monoisotopic Mass500.27740
SMILESCCC(=O)CC[C@]1(C)OC[C@]23CC(=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/C29H40O7/c1-6-17(30)7-12-27(4)20-8-11-26(3)24-18(31)13-21(28(5)15-35-28)25(2,10-9-22(33)34)23(24)19(32)14-29(20,26)16-36-27/h20-21H,6-16H2,1-5H3,(H,33,34)/t20-,21-,25+,26+,27+,28-,29+/m1/s1
InChIKeyOHYSEUXBUNIBRZ-NWKABCBKSA-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 E (CHEBI:220062) is a carbocyclic fatty acid (CHEBI:35744)
IUPAC Name 
3-[(1S,5S,6R,10R,13S,14S)-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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