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CHEBI:205966 - Halichoblelide D

ChEBI IDCHEBI:205966
ChEBI NameHalichoblelide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H80O15
Net Charge0
Average Mass909.164
Monoisotopic Mass908.54972
SMILESCC[C@@H]1[C@@H](C)O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(O)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1OC
InChIInChI=1S/C49H80O15/c1-13-35-32(9)63-48(56,24-38(35)58-12)30(7)43(53)28(5)46-26(3)19-15-17-22-41(52)62-47(27(4)20-16-18-21-40(51)61-46)29(6)44(54)31(8)49(57)25-39(36(14-2)33(10)64-49)60-42-23-37(50)45(55)34(11)59-42/h15-22,26-39,42-47,50,53-57H,13-14,23-25H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t26-,27-,28-,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,42-,43+,44+,45+,46-,47-,48+,49+/m0/s1
InChIKeyNISLNXPIHWENKA-PSGMEJAASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 219807 (ncbitaxon:1028287) - PubMed (27463707)
ChEBI Ontology
Outgoing Relation(s)
Halichoblelide D (CHEBI:205966) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5E,7S,8S,11E,13E,15S,16S)-8-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-16-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-5-ethyl-2-hydroxy-4-methoxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
Manual XrefsDatabases
58197166ChemSpider