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CHEBI:198369 - Gulmirecin A

ChEBI IDCHEBI:198369
ChEBI NameGulmirecin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O11
Net Charge0
Average Mass542.622
Monoisotopic Mass542.27271
SMILESCC=C(C)C1CC=C(C)C(OC2OC(CO)C(O)C2O)C(OC(=O)CC(C)C)C(=O)CC(O)C(C)C(=O)O1
InChIInChI=1S/C27H42O11/c1-7-14(4)19-9-8-15(5)24(38-27-23(33)22(32)20(12-28)36-27)25(37-21(31)10-13(2)3)18(30)11-17(29)16(6)26(34)35-19/h7-8,13,16-17,19-20,22-25,27-29,32-33H,9-12H2,1-6H3
InChIKeyBJWRCLLKJSLIRN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pyxidicoccus (ncbitaxon:224458) - PubMed (25287056)
ChEBI Ontology
Outgoing Relation(s)
Gulmirecin A (CHEBI:198369) is a macrolide (CHEBI:25106)
IUPAC Name 
[12-but-2-en-2-yl-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-3,9-dimethyl-2,6-dioxo-1-oxacyclododec-9-en-7-yl] 3-methylbutanoate