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CHEBI:227524 - Kadhenrischinin G

ChEBI IDCHEBI:227524
ChEBI NameKadhenrischinin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H46O8
Net Charge0
Average Mass582.734
Monoisotopic Mass582.31927
SMILESCC(=O)O[C@@H]1C[C@H]([C@@](C)(OC(C)=O)C(=O)O)C[C@H]1C1CC[C@@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)CC[C@]12C
InChIInChI=1S/C34H46O8/c1-19(35)40-28-18-23(34(7,30(38)39)41-20(2)36)17-24(28)27-13-15-32(5)26-10-9-25-21(8-11-29(37)42-31(25,3)4)16-22(26)12-14-33(27,32)6/h8,11,16,23-25,27-28H,9-10,12-15,17-18H2,1-7H3,(H,38,39)/t23-,24+,25-,27?,28-,32+,33-,34-/m1/s1
InChIKeyORPKBFPYHFWAJI-SBPKDEBJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30476897)
ChEBI Ontology
Outgoing Relation(s)
Kadhenrischinin G (CHEBI:227524) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2R)-2-acetyloxy-2-[(1R,3R,4S)-3-acetyloxy-4-[(9R,13R,17R)-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-16-yl]cyclopentyl]propanoic acid