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CHEBI:198710 - Ganoboninketal B

ChEBI IDCHEBI:198710
ChEBI NameGanoboninketal B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O6
Net Charge0
Average Mass498.660
Monoisotopic Mass498.29814
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)OC
InChIInChI=1S/C30H42O6/c1-8-30-14-13-28(6,36-30)22-9-12-27(5)25-20(31)15-19(18(2)3)26(4,11-10-23(33)34-7)24(25)21(32)16-29(22,27)17-35-30/h19,22H,2,8-17H2,1,3-7H3/t19-,22+,26-,27-,28-,29-,30+/m0/s1
InChIKeyAZCYHVVCJDPVDB-MXYUDKIHSA-N
Species of MetaboliteComponentSourceComments
Ganoderma boninense (ncbitaxon:34458) - PubMed (25076059)
ChEBI Ontology
Outgoing Relation(s)
Ganoboninketal B (CHEBI:198710) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl 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]propanoate
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58112262ChemSpider