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CHEBI:226730 - Ganoboninone D

ChEBI IDCHEBI:226730
ChEBI NameGanoboninone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O8
Net Charge0
Average Mass530.658
Monoisotopic Mass530.28797
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)OC)[C@]2(C)CC[C@@H]31
InChIInChI=1S/C30H42O8/c1-7-17(31)8-13-28(4)19-9-12-27(3)22-18(32)14-20(29(5)15-37-29)26(2,11-10-21(33)36-6)23(22)24(34)25(35)30(19,27)16-38-28/h19-20,25,35H,7-16H2,1-6H3/t19-,20-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKeyWHVXPOKOWPLVPS-CAYUPQFCSA-N
Species of MetaboliteComponentSourceComments
Ganoderma boninense (ncbitaxon:34458) - DOI (10.1016/j.tet.2015.02.002)
ChEBI Ontology
Outgoing Relation(s)
Ganoboninone D (CHEBI:226730) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl 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]propanoate
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78438354ChemSpider