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CHEBI:214593 - Chaxine C

ChEBI IDCHEBI:214593
ChEBI NameChaxine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILESCC(C)C(C)/C=C/C(C)[C@H]1CC[C@H]2/C(=C/C(=O)OC3(C)CCC=CC3=O)C(=O)CC[C@]12C
InChIInChI=1S/C28H40O4/c1-18(2)19(3)10-11-20(4)22-12-13-23-21(24(29)14-16-27(22,23)5)17-26(31)32-28(6)15-8-7-9-25(28)30/h7,9-11,17-20,22-23H,8,12-16H2,1-6H3/b11-10+,21-17-/t19?,20?,22-,23+,27-,28?/m1/s1
InChIKeyHHOHGMGBNVADCJ-JHGRJPAVSA-N
Species of MetaboliteComponentSourceComments
Agrocybe chaxingu (ncbitaxon:84603) - DOI (10.1016/j.tet.2009.09.064)
ChEBI Ontology
Outgoing Relation(s)
Chaxine C (CHEBI:214593) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1-methyl-2-oxocyclohex-3-en-1-yl) (2Z)-2-[(1R,3aR,7aR)-1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-5-oxo-1,2,3,3a,6,7-hexahydroinden-4-ylidene]acetate
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78445185ChemSpider