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CHEBI:215322 - Eremoxylarin A

ChEBI IDCHEBI:215322
ChEBI NameEremoxylarin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O6
Net Charge0
Average Mass470.606
Monoisotopic Mass470.26684
SMILESC=C(C=O)[C@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C(C)=C/C(C)CC(C)CC)CC[C@@H]2C(=O)O
InChIInChI=1S/C28H38O6/c1-7-17(2)12-19(4)13-18(3)8-11-26(31)34-25-10-9-22(27(32)33)28(6)15-21(20(5)16-29)24(30)14-23(25)28/h8,11,13-14,16-17,19,21-22,25H,5,7,9-10,12,15H2,1-4,6H3,(H,32,33)/b11-8+,18-13+/t17?,19?,21-,22-,25-,28-/m1/s1
InChIKeyJNXDHAJFIDNOLG-SRZGMPGVSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (18997388)
ChEBI Ontology
Outgoing Relation(s)
Eremoxylarin A (CHEBI:215322) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4R,7R,8aR)-8a-methyl-6-oxo-7-(3-oxoprop-1-en-2-yl)-4-[(2E,4E)-4,6,8-trimethyldeca-2,4-dienoyl]oxy-1,2,3,4,7,8-hexahydronaphthalene-1-carboxylic acid
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