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CHEBI:203092 - Halichoblelide B

ChEBI IDCHEBI:203092
ChEBI NameHalichoblelide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H84O15
Net Charge0
Average Mass937.218
Monoisotopic Mass936.58102
SMILESCC[C@@H]1[C@@H](C)O[C@@](OC)([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(OC)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/C51H84O15/c1-15-37-34(9)65-50(59-13,26-40(37)58-12)32(7)45(55)30(5)48-28(3)21-17-19-24-43(54)64-49(29(4)22-18-20-23-42(53)63-48)31(6)46(56)33(8)51(60-14)27-41(38(16-2)35(10)66-51)62-44-25-39(52)47(57)36(11)61-44/h17-24,28-41,44-49,52,55-57H,15-16,25-27H2,1-14H3/b21-17+,22-18+,23-20+,24-19+/t28-,29-,30-,31-,32-,33-,34+,35+,36-,37+,38+,39-,40+,41+,44-,45+,46+,47+,48-,49-,50+,51+/m0/s1
InChIKeySRXWVIGSPYVDJK-QSHJZNHNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - DOI (10.1016/j.tetlet.2012.03.114)
ChEBI Ontology
Outgoing Relation(s)
Halichoblelide B (CHEBI:203092) 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-methoxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-16-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-5-ethyl-2,4-dimethoxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
Manual XrefsDatabases
29214575ChemSpider