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CHEBI:175706 - Macrocarpal D

ChEBI IDCHEBI:175706
ChEBI NameMacrocarpal D
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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)C1(C)CCC2C1=CC(C(C)(C)O)CCC2C
InChIInChI=1S/C28H40O6/c1-15(2)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3
InChIKeyVUKIJLQDSQXHDI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Macrocarpal D (CHEBI:175706) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2,4,6-trihydroxy-5-[1-[7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde
Manual XrefsDatabases
HMDB0038733HMDB
400195ChemSpider
Registry NumbersSources
CAS:142647-71-0ChemIDplus