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CHEBI:68973 - squamostatin-A

ChEBI IDCHEBI:68973
ChEBI Namesquamostatin-A
Stars
DefinitionA natural product found in Annona squamosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC37H66O8
Net Charge0
Average Mass638.927
Monoisotopic Mass638.47577
SMILES[H][C@]1([C@H](O)CC[C@H](O)[C@]2([H])CC[C@@H](CCCCCCCCCC3=C[C@H](C)OC3=O)O2)CC[C@]([H])([C@@H](O)CCC[C@@H](O)CCCCCC)O1
InChIInChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29-,30+,31-,32-,33+,34-,35+,36+/m0/s1
InChIKeyHKIHGTSLUYNNHM-LIASLPPCSA-N
Species of MetaboliteComponentSourceComments
Annona squamosa (ncbitaxon:301693) seed (BTO:0001226) PubMed (22011319) 95% ethanolic extract of seeds
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
squamostatin-A (CHEBI:68973) has role metabolite (CHEBI:25212)
squamostatin-A (CHEBI:68973) is a polyketide (CHEBI:26188)
Synonym  Source
(5S)-3-(9-{(2R,5S)-5-[(1S,4R)-4-{(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-1,4-dihydroxybutyl]tetrahydro-2-furanyl}nonyl)-5-methyl-2(5H)-furanoneChEBI
Citations