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CHEBI:68968 - Annosquacin-I, (rel)-

ChEBI IDCHEBI:68968
ChEBI NameAnnosquacin-I, (rel)-
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)CCCCCCCC2=C[C@H](C)OC2=O)CC[C@]([H])([C@@]2([H])CC[C@]([H])([C@@H](O)CCCC(O)CCCCCCCCCCC)O2)O1
InChIInChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-12-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-10-11-14-18-29-27-28(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
InChIKeyGHKXYVAVEAMUNF-SWWNTVRDSA-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)
Annosquacin-I, (rel)- (CHEBI:68968) has role metabolite (CHEBI:25212)
Annosquacin-I, (rel)- (CHEBI:68968) is a polyketide (CHEBI:26188)
Citations