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CHEBI:198234 - Halymecin G

ChEBI IDCHEBI:198234
ChEBI NameHalymecin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H68O16
Net Charge0
Average Mass780.946
Monoisotopic Mass780.45074
SMILESCCCCC[C@H](C[C@H](CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(C)=O
InChIInChI=1S/C38H68O16/c1-5-8-11-14-27(17-25(41)19-32(43)44)51-33(45)20-26(42)18-28(15-12-9-6-2)52-34(46)22-30(21-29(50-24(4)40)16-13-10-7-3)53-38-37(49)36(48)35(47)31(23-39)54-38/h25-31,35-39,41-42,47-49H,5-23H2,1-4H3,(H,43,44)/t25-,26-,27-,28-,29-,30-,31-,35-,36+,37+,38-/m1/s1
InChIKeyRZARMTGHXDCDDW-FPGXIQHLSA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - PubMed (24660753)
ChEBI Ontology
Outgoing Relation(s)
Halymecin G (CHEBI:198234) is a glycolipid (CHEBI:33563)
IUPAC Name 
(3R,5R)-5-[(3R,5R)-5-[(3R,5R)-5-acetyloxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid
Manual XrefsDatabases
78440716ChemSpider