CHEBI:68973 - squamostatin-A

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ChEBI Name squamostatin-A
ChEBI ID CHEBI:68973
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 C37H66O8
Net Charge 0
Average Mass 638.91510
Monoisotopic Mass 638.47577
InChI InChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(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
InChIKey HKIHGTSLUYNNHM-LIASLPPCSA-N
SMILES [H][C@]1(CC[C@@H](CCCCCCCCCC2=C[C@H](C)OC2=O)O1)[C@@H](O)CC[C@@H](O)[C@@]1([H])CC[C@@]([H])(O1)[C@@H](O)CCC[C@@H](O)CCCCCC
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 squamostatin-A (CHEBI:68973) has role metabolite (CHEBI:25212)
squamostatin-A (CHEBI:68973) is a polyketide (CHEBI:26188)
Synonym Source
(5S)-3-(9-{(2R,5S)-5-[(1S,4R)-4-{(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-1,4-dihydroxybutyl]tetrahydro-2-furanyl}nonyl)-5-methyl-2(5H)-furanone ChEBI
Citation Waiting for Citations Type Source
22011319 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:disaccharide(CHEBI:36233); ISA:butenolide(CHEBI:50523); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);