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CHEBI:225867 - Erythrolic acid B

ChEBI IDCHEBI:225867
ChEBI NameErythrolic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O7
Net Charge0
Average Mass500.632
Monoisotopic Mass500.27740
SMILESC/C(=C/CC(=O)O)CCC[C@@](C)(O)C(=O)CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C29H40O7/c1-20(10-13-23-19-24(28(34)35)14-15-25(23)30)7-5-8-21(2)11-16-26(31)29(4,36)18-6-9-22(3)12-17-27(32)33/h8,10,12,14-15,19,30,36H,5-7,9,11,13,16-18H2,1-4H3,(H,32,33)(H,34,35)/b20-10+,21-8+,22-12-/t29-/m1/s1
InChIKeyGCHOHSURWKHMBA-FLXCRFBSSA-N
Species of MetaboliteComponentSourceComments
Erythrobacterspecies (ncbitaxon:1042) - PubMed (22384985)
ChEBI Ontology
Outgoing Relation(s)
Erythrolic acid B (CHEBI:225867) is a diterpenoid (CHEBI:23849)
IUPAC Name 
3-[(2E,6E,11R,15Z)-17-carboxy-11-hydroxy-3,7,11,15-tetramethyl-10-oxoheptadeca-2,6,15-trienyl]-4-hydroxybenzoic acid
Manual XrefsDatabases
29214671ChemSpider