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CHEBI:226354 - Atlanticone A

ChEBI IDCHEBI:226354
ChEBI NameAtlanticone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O4
Net Charge0
Average Mass514.791
Monoisotopic Mass514.40221
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)OCC1=C2CC[C@]2(C)[C@H]2CC(C)(C)C[C@@]2(O)C1=O
InChIInChI=1S/C33H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(34)37-24-26-27-21-22-32(27,4)28-23-31(2,3)25-33(28,36)30(26)35/h12-13,28,36H,5-11,14-25H2,1-4H3/b13-12+/t28-,32+,33+/m1/s1
InChIKeyJVABFUZCISHUFC-DWRINCHHSA-N
Species of MetaboliteComponentSourceComments
Lactarius atlanticus (ncbitaxon:1032834) - DOI (10.1002/1099-0690(200203)2002:6<988::aid-ejoc988>3.0.co;2-2)
ChEBI Ontology
Outgoing Relation(s)
Atlanticone A (CHEBI:226354) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(4aS,7aR,7bR)-4a-hydroxy-6,6,7b-trimethyl-4-oxo-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-3-yl]methyl (E)-octadec-9-enoate
Manual XrefsDatabases
78437806ChemSpider