EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205085 - Halymecin E

Default Structure
ChEBI IDCHEBI:205085
ChEBI NameHalymecin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H56O11
Net Charge0
Average Mass592.767
Monoisotopic Mass592.38226
SMILESCCCCC[C@H](O)C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O[C@H](CCCC(C)O)C[C@@H](O)CC(=O)O
InChIInChI=1S/C30H56O11/c1-4-6-8-12-22(32)15-23(33)19-29(38)40-26(13-9-7-5-2)17-25(35)20-30(39)41-27(14-10-11-21(3)31)16-24(34)18-28(36)37/h21-27,31-35H,4-20H2,1-3H3,(H,36,37)/t21?,22-,23+,24+,25+,26+,27+/m0/s1
InChIKeyQIYAHVFPCSLOLV-HFUIXXASSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (8968393)
ChEBI Ontology
Outgoing Relation(s)
Halymecin E (CHEBI:205085) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3R,5R)-5-[(3R,5R)-5-[(3R,5S)-3,5-dihydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3,9-dihydroxydecanoic acid