Monocillin IV (CHEBI:200268)

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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	Monocillin IV

ChEBI ID	CHEBI:200268

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O5

Net Charge

Average Mass

318.369

Monoisotopic Mass

318.14672

InChI

InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1

InChIKey

WSBASKMWDAUNEI-OGOUPESXSA-N

SMILES

O=C1O[C@@H](CC=CCCCCC(CC=2C1=C(O)C=C(O)C2)=O)C

Metabolite of Species	Details
Monocillium nordinii (NCBI:txid2075171)	See: DOI

ChEBI Ontology
Outgoing	Monocillin IV (CHEBI:200268) is a macrolide (CHEBI:25106)

IUPAC Name

(4R,6E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione