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CHEBI:217452 - Erythrolic acid C

ChEBI IDCHEBI:217452
ChEBI NameErythrolic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILESC/C(=C\Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)CC[C@H](O)[C@@]1(C)CCC(=O)O1
InChIInChI=1S/C24H32O6/c1-16(7-9-18-15-19(23(28)29)10-11-20(18)25)5-4-6-17(2)8-12-21(26)24(3)14-13-22(27)30-24/h6-7,10-11,15,21,25-26H,4-5,8-9,12-14H2,1-3H3,(H,28,29)/b16-7+,17-6+/t21-,24+/m0/s1
InChIKeyYRNRZLZDGLUALE-GWGVGFAESA-N
Species of MetaboliteComponentSourceComments
Erythrobacterspecies (ncbitaxon:1042) - PubMed (22384985)
ChEBI Ontology
Outgoing Relation(s)
Erythrolic acid C (CHEBI:217452) is a terpene lactone (CHEBI:37668)
IUPAC Name 
4-hydroxy-3-[(2E,6E,10S)-10-hydroxy-3,7-dimethyl-10-[(2R)-2-methyl-5-oxooxolan-2-yl]deca-2,6-dienyl]benzoic acid
Manual XrefsDatabases
29214672ChemSpider