CHEBI:205247 - Gulmirecin B

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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 Gulmirecin B
ChEBI ID CHEBI:205247
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H34O9
Net Charge 0
Average Mass 442.505
Monoisotopic Mass 442.22028
InChI InChI=1S/C22H34O9/c1-5-11(2)15-9-7-12(3)20(31-22-19(27)18(26)16(10-23)30-22)17(25)14(24)8-6-13(4)21(28)29-15/h5,7,13,15-20,22-23,25-27H,6,8-10H2,1-4H3
InChIKey CHKQEDFOMALSCO-UHFFFAOYSA-N
SMILES O=C1OC(C(=CC)C)CC=C(C(OC2OC(CO)C(C2O)O)C(C(CCC1C)=O)O)C
Metabolite of Species Details
Pyxidicoccus (NCBI:txid224458) See: PubMed
ChEBI Ontology
Outgoing Gulmirecin B (CHEBI:205247) is a macrolide (CHEBI:25106)
IUPAC Name
12-but-2-en-2-yl-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-7-hydroxy-3,9-dimethyl-1-oxacyclododec-9-ene-2,6-dione