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CHEBI:226392 - Ganoboninketal A

ChEBI IDCHEBI:226392
ChEBI NameGanoboninketal A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O7
Net Charge0
Average Mass542.713
Monoisotopic Mass542.32435
SMILESC=C(C)[C@@H]1C[C@H](OC(C)=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/C32H46O7/c1-9-32-15-14-30(7,39-32)24-10-13-29(6)27-23(38-20(4)33)16-21(19(2)3)28(5,12-11-25(35)36-8)26(27)22(34)17-31(24,29)18-37-32/h21,23-24H,2,9-18H2,1,3-8H3/t21-,23-,24+,28-,29-,30-,31-,32+/m0/s1
InChIKeyZYNKTKAKQHBMHK-ARJQYETKSA-N
Species of MetaboliteComponentSourceComments
Ganoderma boninense (ncbitaxon:34458) - PubMed (25076059)
ChEBI Ontology
Outgoing Relation(s)
Ganoboninketal A (CHEBI:226392) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl 3-[(1S,2S,5R,7S,9S,10S,14S,17R)-7-acetyloxy-17-ethyl-1,5,10-trimethyl-12-oxo-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
Manual XrefsDatabases
58112251ChemSpider