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CHEBI:223621 - Eremoxylarin C

ChEBI IDCHEBI:223621
ChEBI NameEremoxylarin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILESC=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C(C)CC(C)CC)CC[C@@H]2C(=O)O
InChIInChI=1S/C25H34O6/c1-6-15(2)11-16(3)7-10-23(28)31-22-9-8-19(24(29)30)25(5)13-18(17(4)14-26)21(27)12-20(22)25/h7,10,12,14-16,18-19,22H,4,6,8-9,11,13H2,1-3,5H3,(H,29,30)/b10-7+/t15?,16?,18-,19+,22+,25+/m0/s1
InChIKeyYWSUKYNHOWEDJX-SDJJMZEKSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.phytol.2014.01.011)
ChEBI Ontology
Outgoing Relation(s)
Eremoxylarin C (CHEBI:223621) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4R,7S,8aR)-4-[(E)-4,6-dimethyloct-2-enoyl]oxy-8a-methyl-6-oxo-7-(3-oxoprop-1-en-2-yl)-1,2,3,4,7,8-hexahydronaphthalene-1-carboxylic acid
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