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CHEBI:68970 - Annosquatin-II, (rel)-

ChEBI IDCHEBI:68970
ChEBI NameAnnosquatin-II, (rel)-
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](CCCCCCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)CC[C@@]([H])([C@@H](O)CCCCC)O1
InChIInChI=1S/C37H66O8/c1-3-4-13-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-15-12-10-8-6-5-7-9-11-14-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32-,33+,34-,35-,36-/m0/s1
InChIKeyWAKFSRBZGHGMPD-OKPRCEDISA-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)
Annosquatin-II, (rel)- (CHEBI:68970) has role metabolite (CHEBI:25212)
Annosquatin-II, (rel)- (CHEBI:68970) is a polyketide (CHEBI:26188)
Citations