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CHEBI:211384 - Halichoblelide C

ChEBI IDCHEBI:211384
ChEBI NameHalichoblelide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H82O15
Net Charge0
Average Mass923.191
Monoisotopic Mass922.56537
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](C)[C@@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1OC
InChIInChI=1S/C50H82O15/c1-15-37-35(10)65-50(59-14,26-40(37)57-12)33(8)45(55)31(6)48-28(3)21-17-19-22-41(52)62-47(27(2)20-16-18-23-42(53)63-48)30(5)44(54)32(7)49(58-13)25-39(29(4)34(9)64-49)61-43-24-38(51)46(56)36(11)60-43/h16-23,27-40,43-48,51,54-56H,15,24-26H2,1-14H3/b20-16+,21-17+,22-19+,23-18+/t27-,28-,29+,30-,31-,32-,33-,34+,35+,36-,37+,38-,39+,40+,43-,44+,45+,46+,47-,48-,49+,50+/m0/s1
InChIKeyUNLNSORGTCIDCT-FXOGJKAJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - DOI (10.1016/j.tetlet.2012.03.114)
ChEBI Ontology
Outgoing Relation(s)
Halichoblelide C (CHEBI:211384) 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-2-methoxy-5,6-dimethyloxan-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
29214576ChemSpider