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CHEBI:225019 - 9-Hydroxybafilomycin D

ChEBI IDCHEBI:225019
ChEBI Name9-Hydroxybafilomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O9
Net Charge0
Average Mass620.824
Monoisotopic Mass620.39243
SMILESCO/C1=C/C(C)=C\[C@@H](C)[C@H](O)[C@@H](C)C(O)/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)C(=O)/C=C/[C@H](C)[C@H](O)C(C)C)OC1=O
InChIInChI=1S/C35H56O9/c1-19(2)30(37)22(5)15-16-27(36)24(7)33(40)26(9)34-28(42-10)14-12-13-21(4)31(38)25(8)32(39)23(6)17-20(3)18-29(43-11)35(41)44-34/h12-19,22-26,28,30-34,37-40H,1-11H3/b14-12-,16-15+,20-17-,21-13-,29-18+/t22-,23+,24+,25-,26-,28-,30+,31?,32-,33-,34+/m0/s1
InChIKeyVNRGJWFVHIBRFT-DJCIGRFZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21102599)
ChEBI Ontology
Outgoing Relation(s)
9-Hydroxybafilomycin D (CHEBI:225019) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5Z,7R,8S,9R,11Z,13Z,15S,16R)-16-[(E,2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8,10-dihydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual XrefsDatabases
78438301ChemSpider