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CHEBI:202104 - Sesquicillin

ChEBI IDCHEBI:202104
ChEBI NameSesquicillin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O5
Net Charge0
Average Mass470.650
Monoisotopic Mass470.30322
SMILESC=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C29H42O5/c1-17(2)10-9-14-29(8)24-12-11-18(3)23(28(24,7)15-13-25(29)34-21(6)30)16-22-26(31)19(4)20(5)33-27(22)32/h10,23-25,31H,3,9,11-16H2,1-2,4-8H3/t23-,24-,25+,28-,29+/m1/s1
InChIKeyXYRWDMXUDDAXMF-JJPZVYOZSA-N
Species of MetaboliteComponentSourceComments
Albophoma (ncbitaxon:1635094) - PubMed (9666183)
ChEBI Ontology
Outgoing Relation(s)
Sesquicillin (CHEBI:202104) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(1S,2S,4aR,5R,8aR)-5-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-1,4a-dimethyl-6-methylidene-1-(4-methylpent-3-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
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28287181ChemSpider