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CHEBI:227256 - Sch-213766

ChEBI IDCHEBI:227256
ChEBI NameSch-213766
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO6
Net Charge0
Average Mass459.583
Monoisotopic Mass459.26209
SMILESC/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@H]2C1/C(O)=C1/C(=O)N[C@H](CC(C)(O)C(=O)OC)C1=O
InChIInChI=1S/C26H37NO6/c1-7-14(3)17-9-8-16-11-13(2)10-15(4)19(16)20(17)23(29)21-22(28)18(27-24(21)30)12-26(5,32)25(31)33-6/h7-9,13,15-20,29,32H,10-12H2,1-6H3,(H,27,30)/b14-7+,23-21-/t13-,15+,16-,17+,18-,19-,20?,26?/m1/s1
InChIKeyITWQKCOXYYEWRZ-ZSFCWYGVSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (17827664)
ChEBI Ontology
Outgoing Relation(s)
Sch-213766 (CHEBI:227256) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl 3-[(2R,4Z)-4-[[(2R,4aS,6R,8S,8aR)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-3,5-dioxopyrrolidin-2-yl]-2-hydroxy-2-methylpropanoate
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