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CHEBI:218753 - Sesquicillin D

ChEBI IDCHEBI:218753
ChEBI NameSesquicillin D
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SubmitterMetaboLights
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FormulaC29H42O6
Net Charge0
Average Mass486.649
Monoisotopic Mass486.29814
SMILESC=C(C)C(O)CC[C@@]1(C)[C@@H]2CCC(=C)[C@@H](Cc3c(O)c(C)c(C)oc3=O)[C@@]2(C)CC[C@@H]1OC(C)=O
InChIInChI=1S/C29H42O6/c1-16(2)23(31)11-13-29(8)24-10-9-17(3)22(28(24,7)14-12-25(29)35-20(6)30)15-21-26(32)18(4)19(5)34-27(21)33/h22-25,31-32H,1,3,9-15H2,2,4-8H3/t22-,23?,24-,25+,28-,29+/m1/s1
InChIKeyUCNIKIQFSZAFQI-LJXXBEORSA-N
Species of MetaboliteComponentSourceComments
Albophoma (ncbitaxon:1635094) - PubMed (16156516)
ChEBI Ontology
Outgoing Relation(s)
Sesquicillin D (CHEBI:218753) 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-(3-hydroxy-4-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
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78438166ChemSpider