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CHEBI:176053 - Isomorellic acid

ChEBI IDCHEBI:176053
ChEBI NameIsomorellic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H36O8
Net Charge0
Average Mass560.643
Monoisotopic Mass560.24102
SMILESCC(C)=CCc1c2c(c(O)c3c1OC14C(=CC5CC1C(C)(C)OC4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
InChIInChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(34)23-25(35)21-14-18-15-22-31(6,7)41-32(28(18)36,13-10-17(3)29(37)38)33(21,22)40-27(20)23/h8,10-12,14,18,22,34H,9,13,15H2,1-7H3,(H,37,38)/b17-10-
InChIKeyCOVMVPHACFXMAX-YVLHZVERSA-N
ChEBI Ontology
Outgoing Relation(s)
Isomorellic acid (CHEBI:176053) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
(Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
Manual XrefsDatabases
8091482ChemSpider
HMDB0030734HMDB