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CHEBI:212495 - Chaxine D

ChEBI IDCHEBI:212495
ChEBI NameChaxine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O5
Net Charge0
Average Mass460.655
Monoisotopic Mass460.31887
SMILESCC(C)C(C)CCC(C)[C@H]1CC[C@H]2/C(=C/C(=O)OC3(C)CCC(O)CC3=O)C(=O)CC[C@]12C
InChIInChI=1S/C28H44O5/c1-17(2)18(3)7-8-19(4)22-9-10-23-21(24(30)12-13-27(22,23)5)16-26(32)33-28(6)14-11-20(29)15-25(28)31/h16-20,22-23,29H,7-15H2,1-6H3/b21-16-/t18?,19?,20?,22-,23+,27-,28?/m1/s1
InChIKeyNICNBSMUFQSZGO-QXCFPRMNSA-N
Species of MetaboliteComponentSourceComments
Agrocybe chaxingu (ncbitaxon:84603) - DOI (10.1016/j.tet.2009.09.064)
ChEBI Ontology
Outgoing Relation(s)
Chaxine D (CHEBI:212495) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4-hydroxy-1-methyl-2-oxocyclohexyl) (2Z)-2-[(1R,3aR,7aR)-1-(5,6-dimethylheptan-2-yl)-7a-methyl-5-oxo-1,2,3,3a,6,7-hexahydroinden-4-ylidene]acetate
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78445176ChemSpider