CHEBI:206835 - Monocillin VII

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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 VII
ChEBI ID CHEBI:206835
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H18O5
Net Charge 0
Average Mass 290.315
Monoisotopic Mass 290.11542
InChI InChI=1S/C16H18O5/c1-10-4-2-3-5-12(17)7-6-11-8-13(18)9-14(19)15(11)16(20)21-10/h2-3,6-10,12,17-19H,4-5H2,1H3/t10-,12+/m1/s1
InChIKey AZMKCFOOYMQAIQ-PWSUYJOCSA-N
SMILES O=C1O[C@@H](CC=CC[C@@H](C=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 VII (CHEBI:206835) is a macrolide (CHEBI:25106)
IUPAC Names
(1R,13R,15S)-7,9-dihydroxy-13-methyl-12,19-dioxatricyclo[13.3.1.05,10]nonadeca-5(10),6,8,16-tetraene-3,11-dione
(4R,9S)-9,14,16-trihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),6,10,13,15-pentaen-2-one
Manual Xref Database
78438989 ChemSpider
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