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CHEBI:202289 - Halymecin A

ChEBI IDCHEBI:202289
ChEBI NameHalymecin A
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SubmitterMetaboLights
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FormulaC42H76O14
Net Charge0
Average Mass805.056
Monoisotopic Mass804.52351
SMILESCCCCC[C@@H](O)C[C@@H](O)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
InChIInChI=1S/C42H76O14/c1-6-10-14-18-31(44)22-32(45)26-40(50)54-36(20-16-12-8-3)24-34(47)27-41(51)56-37(21-17-13-9-4)28-38(53-30(5)43)29-42(52)55-35(19-15-11-7-2)23-33(46)25-39(48)49/h31-38,44-47H,6-29H2,1-5H3,(H,48,49)/t31-,32-,33-,34-,35-,36-,37-,38-/m1/s1
InChIKeyOHOMGNIITZEKKL-NCUMTQOVSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (8968393)
ChEBI Ontology
Outgoing Relation(s)
Halymecin A (CHEBI:202289) has functional parent hexacarboxylic acid (CHEBI:59359)
Halymecin A (CHEBI:202289) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,5R)-5-[(3R,5R)-3-acetyloxy-5-[(3R,5R)-5-[(3R,5R)-3,5-dihydroxydecanoyl]oxy-3-hydroxydecanoyl]oxydecanoyl]oxy-3-hydroxydecanoic acid
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