CHEBI:227256 - Sch-213766

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sch-213766
ChEBI ID CHEBI:227256
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H37NO6
Net Charge 0
Average Mass 459.583
Monoisotopic Mass 459.26209
InChI InChI=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
InChIKey ITWQKCOXYYEWRZ-ZSFCWYGVSA-N
SMILES O=C/1N[C@H](CC(O)(C(=O)OC)C)C(\C1=C(\O)/C2[C@H](/C(=C/C)/C)C=C[C@H]3[C@H]2[C@H](C[C@H](C3)C)C)=O
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78437830 ChemSpider
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