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CHEBI:203609 - Halymecin F

ChEBI IDCHEBI:203609
ChEBI NameHalymecin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H88O20
Net Charge0
Average Mass1009.234
Monoisotopic Mass1008.58690
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](CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O)OC(C)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(C)=O
InChIInChI=1S/C50H88O20/c1-7-11-15-19-36(23-34(54)25-43(56)57)66-45(59)29-40(65-33(6)53)28-39(22-18-14-10-4)68-44(58)26-35(55)24-37(20-16-12-8-2)67-46(60)30-41(27-38(64-32(5)52)21-17-13-9-3)69-50-49(63)48(62)47(61)42(31-51)70-50/h34-42,47-51,54-55,61-63H,7-31H2,1-6H3,(H,56,57)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,47-,48+,49+,50-/m1/s1
InChIKeyFLWMIXBALDGGQL-FQHOZYHASA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - PubMed (24660753)
ChEBI Ontology
Outgoing Relation(s)
Halymecin F (CHEBI:203609) is a glycolipid (CHEBI:33563)
IUPAC Name 
(3R,5R)-5-[(3R,5R)-3-acetyloxy-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]oxydecanoyl]oxy-3-hydroxydecanoic acid
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