Aspinolide C (CHEBI:202512)

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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	Aspinolide C

ChEBI ID	CHEBI:202512

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O6

Net Charge

Average Mass

282.292

Monoisotopic Mass

282.11034

InChI

InChI=1S/C14H18O6/c1-3-4-13(17)20-12-7-5-10(15)11(16)6-8-14(18)19-9(12)2/h3-5,7,9,11-12,16H,6,8H2,1-2H3/b4-3+,7-5-/t9-,11+,12+/m1/s1

InChIKey

GKYMOCGFYKKSSG-YSPKNVJVSA-N

SMILES

O=C1C=C[C@H](OC(=O)/C=C/C)[C@H](OC(CC[C@@H]1O)=O)C

ChEBI Ontology
Outgoing	Aspinolide C (CHEBI:202512) is a oxacycle (CHEBI:38104)

IUPAC Name

[(2R,3S,4Z,7S)-7-hydroxy-2-methyl-6,10-dioxo-3,7,8,9-tetrahydro-2H-oxecin-3-yl] (E)-but-2-enoate