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CHEBI:175708 - Macrocarpal E

ChEBI IDCHEBI:175708
ChEBI NameMacrocarpal E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O6
Net Charge0
Average Mass472.622
Monoisotopic Mass472.28249
SMILESCC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)C1CCC(C)C2=CC(C(C)(C)O)CCC21C
InChIInChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h12-18,21,31-34H,7-11H2,1-6H3
InChIKeyXJNGQIYBMXBCRU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Macrocarpal E (CHEBI:175708) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
2,4,6-trihydroxy-5-[1-[6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde
Manual XrefsDatabases
HMDB0038734HMDB
400196ChemSpider
Registry NumbersSources
CAS:142628-54-4ChemIDplus