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CHEBI:215354 - Ganoboninketal E

ChEBI IDCHEBI:215354
ChEBI NameGanoboninketal E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O6
Net Charge0
Average Mass484.633
Monoisotopic Mass484.28249
SMILESC=C(C)[C@@H]1CC(=O)C2=C(C(=O)C[C@]34CO[C@@]5(CC)CC[C@](C)(O5)[C@H]3CC[C@@]24C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C29H40O6/c1-7-29-13-12-27(6,35-29)21-8-11-26(5)24-19(30)14-18(17(2)3)25(4,10-9-22(32)33)23(24)20(31)15-28(21,26)16-34-29/h18,21H,2,7-16H2,1,3-6H3,(H,32,33)/t18-,21+,25-,26-,27-,28-,29+/m0/s1
InChIKeyDLIISVUQGANIBC-CRCXRKBUSA-N
Species of MetaboliteComponentSourceComments
Ganoderma orbiforme (ncbitaxon:1236583) - DOI (10.1016/j.phytol.2018.09.017)
ChEBI Ontology
Outgoing Relation(s)
Ganoboninketal E (CHEBI:215354) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-[(1S,2S,5R,9S,10S,14S,17R)-17-ethyl-1,5,10-trimethyl-7,12-dioxo-9-prop-1-en-2-yl-16,20-dioxapentacyclo[15.2.1.02,14.05,14.06,11]icos-6(11)-en-10-yl]propanoic acid