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CHEBI:225013 - Defumarylhygrolidin

ChEBI IDCHEBI:225013
ChEBI NameDefumarylhygrolidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56O7
Net Charge0
Average Mass576.815
Monoisotopic Mass576.40260
SMILESCCC1OC(O)(C(C)C(O)C(C)C2OC(=O)/C(C)=C/C(C)=C/C(C)C(O)C(C)C/C(C)=C/C=C/C2OC)CCC1C
InChIInChI=1S/C34H56O7/c1-11-28-22(4)15-16-34(38,41-28)27(9)31(36)26(8)32-29(39-10)14-12-13-20(2)17-23(5)30(35)24(6)18-21(3)19-25(7)33(37)40-32/h12-14,18-19,22-24,26-32,35-36,38H,11,15-17H2,1-10H3/b14-12+,20-13+,21-18+,25-19+
InChIKeyBGFRYHHMLJUGPD-GWYBLXDQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6547434)
ChEBI Ontology
Outgoing Relation(s)
Defumarylhygrolidin (CHEBI:225013) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5E,11E,13E)-16-[4-(6-ethyl-2-hydroxy-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-15-methoxy-3,5,7,9,11-pentamethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual XrefsDatabases
78444952ChemSpider