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CHEBI:225637 - Laschiatrion

ChEBI IDCHEBI:225637
ChEBI NameLaschiatrion
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H44O6
Net Charge0
Average Mass548.720
Monoisotopic Mass548.31379
SMILESCC(C)C(C)[C@H](OC(=O)c1ccccc1)C(=O)[C@@H](C)[C@H]1CC[C@H]2C3=C([C@H](O)C[C@]12C)[C@@]1(C)CCC(=O)CC1C3=O
InChIInChI=1S/C34H44O6/c1-18(2)19(3)31(40-32(39)21-10-8-7-9-11-21)29(37)20(4)23-12-13-24-27-28(26(36)17-34(23,24)6)33(5)15-14-22(35)16-25(33)30(27)38/h7-11,18-20,23-26,31,36H,12-17H2,1-6H3/t19?,20-,23+,24-,25?,26+,31-,33-,34+/m0/s1
InChIKeyIMEAYGLFTXMMLU-NXUYMSFDSA-N
Species of MetaboliteComponentSourceComments
Favolaschia (ncbitaxon:139071) - PubMed (15515886)
ChEBI Ontology
Outgoing Relation(s)
Laschiatrion (CHEBI:225637) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2S,4S)-2-[(3R,3aR,5R,5bS,10bR)-5-hydroxy-3a,5b-dimethyl-8,10-dioxo-1,2,3,4,5,6,7,9,9a,10b-decahydrocyclopenta[a]luoren-3-yl]-5,6-dimethyl-3-oxoheptan-4-yl] benzoate
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8183262ChemSpider