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CHEBI:221775 - Ganoboninone B

ChEBI IDCHEBI:221775
ChEBI NameGanoboninone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O8
Net Charge0
Average Mass528.642
Monoisotopic Mass528.27232
SMILESCCC(=O)CC[C@]1(C)OC[C@]23C(=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]13
InChIInChI=1S/C30H40O8/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/h19-20H,7-16H2,1-6H3/t19-,20-,26+,27+,28+,29-,30+/m1/s1
InChIKeyRHYMEQIZAITVCZ-JTJVRMFXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma boninense (ncbitaxon:34458) - DOI (10.1016/j.tet.2015.02.002)
ChEBI Ontology
Outgoing Relation(s)
Ganoboninone B (CHEBI:221775) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl 3-[(1R,5S,6R,10S,13S,14S)-5,10,14-trimethyl-6-[(2S)-2-methyloxiran-2-yl]-2,3,8-trioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.01,13.04,9]hexadec-4(9)-en-5-yl]propanoate
Manual XrefsDatabases
78438229ChemSpider