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CHEBI:224116 - Sesquicillin C

ChEBI IDCHEBI:224116
ChEBI NameSesquicillin C
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FormulaC29H42O6
Net Charge0
Average Mass486.649
Monoisotopic Mass486.29814
SMILESC=C1CC[C@H]2[C@](C)(CC/C=C(\C)CO)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C29H42O6/c1-17(16-30)9-8-13-29(7)24-11-10-18(2)23(28(24,6)14-12-25(29)35-21(5)31)15-22-26(32)19(3)20(4)34-27(22)33/h9,23-25,30,32H,2,8,10-16H2,1,3-7H3/b17-9+/t23-,24-,25+,28-,29+/m1/s1
InChIKeyRGLORAMZMUVQIN-KDTXZPBHSA-N
Species of MetaboliteComponentSourceComments
Albophoma (ncbitaxon:1635094) - PubMed (16156516)
ChEBI Ontology
Outgoing Relation(s)
Sesquicillin C (CHEBI:224116) 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-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
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