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CHEBI:215360 - Ganoboninketal F

ChEBI IDCHEBI:215360
ChEBI NameGanoboninketal F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O7
Net Charge0
Average Mass500.632
Monoisotopic Mass500.27740
SMILESCC[C@]12CC[C@](C)(O1)[C@H]1CC[C@@]3(C)C4=C(C(=O)C[C@]13CO2)[C@@](C)(CCC(=O)O)[C@H](C1(C)CO1)CC4=O
InChIInChI=1S/C29H40O7/c1-6-29-12-11-26(4,36-29)19-7-10-25(3)23-17(30)13-20(27(5)15-34-27)24(2,9-8-21(32)33)22(23)18(31)14-28(19,25)16-35-29/h19-20H,6-16H2,1-5H3,(H,32,33)/t19-,20-,24+,25+,26+,27?,28+,29-/m1/s1
InChIKeyJYNAFHGXISHKLU-LAGIPVKXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma orbiforme (ncbitaxon:1236583) - DOI (10.1016/j.phytol.2018.09.017)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ganoboninketal F (CHEBI:215360) is a carbocyclic fatty acid (CHEBI:35744)
IUPAC Name 
3-[(1S,2S,5R,9R,10S,14S,17R)-17-ethyl-1,5,10-trimethyl-9-(2-methyloxiran-2-yl)-7,12-dioxo-16,20-dioxapentacyclo[15.2.1.02,14.05,14.06,11]icos-6(11)-en-10-yl]propanoic acid