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CHEBI:68969 - Annosquatin-I, (rel)-

Default Structure
ChEBI IDCHEBI:68969
ChEBI NameAnnosquatin-I, (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](CCCCCCCCCCCCCCC3=C[C@H](C)OC3=O)O2)CC[C@@]([H])([C@@H](O)[C@@H](O)CCCC)O1
InChIInChI=1S/C37H66O8/c1-3-4-19-32(40)36(41)35-25-24-34(45-35)31(39)22-21-30(38)33-23-20-29(44-33)18-16-14-12-10-8-6-5-7-9-11-13-15-17-28-26-27(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
InChIKeyRWJFJCUKDFQLBE-PPRJGXARSA-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-I, (rel)- (CHEBI:68969) has role metabolite (CHEBI:25212)
Annosquatin-I, (rel)- (CHEBI:68969) is a polyketide (CHEBI:26188)
Citations