Monocillin II (CHEBI:221006)

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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 II

ChEBI ID	CHEBI:221006

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H20O5

Net Charge

Average Mass

316.353

Monoisotopic Mass

316.13107

InChI

InChI=1S/C18H20O5/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/h3,5-6,8,10-12,20-21H,2,4,7,9H2,1H3/b5-3+,8-6+/t12-/m1/s1

InChIKey

AGKSYPMAQRUJJY-RNLVMQRLSA-N

SMILES

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

Metabolite of Species	Details
Monocillium (NCBI:txid581188)	See: DOI

ChEBI Ontology
Outgoing	Monocillin II (CHEBI:221006) is a macrolide (CHEBI:25106)

IUPAC Name

(4R,6E,10E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione