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CHEBI:180785 - Armillatin

ChEBI IDCHEBI:180785
ChEBI NameArmillatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O6
Net Charge0
Average Mass610.876
Monoisotopic Mass610.42334
SMILESCCCCCCCCCCCCCCCC(=O)OC12C=CC3CC(C)(C)CC3C1(C)CC2OC(=O)c1c(C)cc(O)cc1O
InChIInChI=1S/C38H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(41)44-38-21-20-28-24-36(3,4)25-30(28)37(38,5)26-32(38)43-35(42)34-27(2)22-29(39)23-31(34)40/h20-23,28,30,32,39-40H,6-19,24-26H2,1-5H3
InChIKeySFZLJVNEGHGCDQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Armillatin (CHEBI:180785) is a benzoate ester (CHEBI:36054)
Armillatin (CHEBI:180785) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2a-hexadecanoyloxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl) 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
35014649ChemSpider
HMDB0038743HMDB