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CHEBI:68972 - bullatacin

ChEBI IDCHEBI:68972
ChEBI Namebullatacin
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[C@@H](O)CC2=C[C@H](C)OC2=O)CC[C@]([H])([C@@]2([H])CC[C@]([H])([C@@H](O)CCCCCCCCCC)O2)O1
InChIInChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34+,35+,36+/m0/s1
InChIKeyMBABCNBNDNGODA-LUVUIASKSA-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)
bullatacin (CHEBI:68972) has role metabolite (CHEBI:25212)
bullatacin (CHEBI:68972) is a polyketide (CHEBI:26188)
Synonyms  Source
Rolliniastatin 2ChEBI
(5S)-3-[(2R,13R)-2,13-dihydroxy-13-{(2R,2'R,5R,5'R)-5'-[(1S)-1-hydroxyundecyl]octahydro-2,2'-bifuran-5-yl}tridecyl]-5-methylfuran-2(5H)-oneChEBI
AnnonareticinChEBI
Squamocin GChEBI
Registry NumbersSources
CAS:123123-32-0ChemIDplus
Citations