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CHEBI:198546 - Ganoboninketal C

ChEBI IDCHEBI:198546
ChEBI NameGanoboninketal C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O8
Net Charge0
Average Mass558.712
Monoisotopic Mass558.31927
SMILESC=C(C)[C@@H]1C[C@H](OC(C)=O)[C@]23OC[C@]4(CC(=O)[C@@H]2[C@@]1(C)CCC(=O)OC)[C@@]3(C)CC[C@@]41O[C@@]2(CC)CC[C@]1(C)O2
InChIInChI=1S/C32H46O8/c1-9-30-14-13-28(7,39-30)31(40-30)15-12-27(6)29(31)17-22(34)25-26(5,11-10-24(35)36-8)21(19(2)3)16-23(38-20(4)33)32(25,27)37-18-29/h21,23,25H,2,9-18H2,1,3-8H3/t21-,23-,25+,26-,27+,28-,29+,30-,31-,32-/m0/s1
InChIKeyZDSCEDBLFYKSDB-JXYXQROOSA-N
Species of MetaboliteComponentSourceComments
Ganoderma boninense (ncbitaxon:34458) - PubMed (25076059)
ChEBI Ontology
Outgoing Relation(s)
Ganoboninketal C (CHEBI:198546) is a prostanoid (CHEBI:26347)
IUPAC Name 
methyl 3-[(1S,1'S,4R,4'S,5S,6S,8S,9S,10R,13R)-8-acetyloxy-1'-ethyl-4',5,10-trimethyl-3-oxo-6-prop-1-en-2-ylspiro[15-oxatetracyclo[7.4.2.01,10.04,9]pentadecane-13,3'-2,7-dioxabicyclo[2.2.1]heptane]-5-yl]propanoate
Manual XrefsDatabases
58112462ChemSpider