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CHEBI:68971 - uvarigrandin A

ChEBI IDCHEBI:68971
ChEBI Nameuvarigrandin A
Stars
DefinitionA natural product found in Annona squamosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC37H66O7
Net Charge0
Average Mass622.928
Monoisotopic Mass622.48085
SMILES[H][C@]1([C@H](O)CCCCCCCCCC)CC[C@]([H])([C@@]2([H])CC[C@]([H])([C@H](O)CCCCCCCCC[C@H](O)CCC3=C[C@H](C)OC3=O)O2)O1
InChIInChI=1S/C37H66O7/c1-3-4-5-6-7-10-13-16-19-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)20-17-14-11-8-9-12-15-18-30(38)22-21-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+,35+,36+/m0/s1
InChIKeySXPGOPRMCQROGB-WGCJABNLSA-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)
uvarigrandin A (CHEBI:68971) has role metabolite (CHEBI:25212)
uvarigrandin A (CHEBI:68971) is a polyketide (CHEBI:26188)
Synonyms  Source
(2S)-4-[(3S,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-oneChEBI
(5S)-3-[(3S,13R)-3,13-Dihydroxy-13-{(2R,2'R,5R,5'R)-5'-[(1R)-1-hydroxyundecyl]octahydro-2,2'-bifuran-5-yl}tridecyl]-5-methyl-2(5H)-furanoneChEBI
Citations