CHEBI:68972 - bullatacin

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ChEBI Name bullatacin
ChEBI ID CHEBI:68972
Definition A natural product found in Annona squamosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H66O7
Net Charge 0
Average Mass 622.91570
Monoisotopic Mass 622.481
InChI InChI=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
InChIKey MBABCNBNDNGODA-LUVUIASKSA-N
SMILES [H][C@@]1(CC[C@@]([H])(O1)[C@@]1([H])CC[C@@]([H])(O1)[C@H](O)CCCCCCCCCC[C@@H](O)CC1=C[C@H](C)OC1=O)[C@@H](O)CCCCCCCCCC
Metabolite of Species Details
Annona squamosa (NCBI:txid301693) Found in seed (BTO:0001226). 95% ethanolic extract of seeds See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bullatacin (CHEBI:68972) has role metabolite (CHEBI:25212)
bullatacin (CHEBI:68972) is a polyketide (CHEBI:26188)
Synonyms Sources
(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)-one ChEBI
Annonareticin ChEBI
Rolliniastatin 2 ChEBI
Squamocin G ChEBI
Registry Number Type Source
123123-32-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22011319 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:long-chain fatty alcohol(CHEBI:17135); ISA:disaccharide(CHEBI:36233); ISA:butenolide(CHEBI:50523); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:enoate ester(CHEBI:51702); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);