CHEBI:206829 - Monocillin VI

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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 VI
ChEBI ID CHEBI:206829
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O6
Net Charge 0
Average Mass 334.368
Monoisotopic Mass 334.14164
InChI InChI=1S/C18H22O6/c1-11-15(21)7-5-3-2-4-6-13(19)8-12-9-14(20)10-16(22)17(12)18(23)24-11/h5,7,9-11,15,20-22H,2-4,6,8H2,1H3/b7-5+/t11-,15+/m1/s1
InChIKey PUBJBUSNXLSOQM-YWDVGMFKSA-N
SMILES O=C1O[C@@H]([C@@H](O)C=CCCCCC(CC=2C1=C(O)C=C(O)C2)=O)C
Metabolite of Species Details
Clavicipitaceaespecies SC0924 (NCBI:txid1710628) See: PubMed
Pochonia chlamydosporia (NCBI:txid280754) See: PubMed
ChEBI Ontology
Outgoing Monocillin VI (CHEBI:206829) is a macrolide (CHEBI:25106)
IUPAC Names
(4R,5S,6E)-5,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
(4R,6E,10Z)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
Manual Xref Database
78438984 ChemSpider
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