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CHEBI:169599 - ortho-hydroxyatorvastatin

ChEBI IDCHEBI:169599
ChEBI Nameortho-hydroxyatorvastatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H35FN2O6
Net Charge0
Average Mass574.649
Monoisotopic Mass574.24792
SMILESCC(C)c1c(C(=O)Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
InChIInChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)
InChIKeyCZBPKFICAYVHHM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
ortho-hydroxyatorvastatin (CHEBI:169599) is a pyrroles (CHEBI:26455)
IUPAC Name 
7-[2-(4-luorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Manual XrefsDatabases
HMDB0061015HMDB
2610327ChemSpider