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

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ChEBI Name Annosquatin-I, (rel)-
ChEBI ID CHEBI:68969
Definition A natural product found in Annona squamosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H66O8
Net Charge 0
Average Mass 638.91510
Monoisotopic Mass 638.47577
InChI InChI=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
InChIKey RWJFJCUKDFQLBE-PPRJGXARSA-N
SMILES [H][C@]1(CC[C@@H](CCCCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1)[C@@H](O)CC[C@@H](O)[C@]1([H])CC[C@]([H])(O1)[C@@H](O)[C@@H](O)CCCC
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 Annosquatin-I, (rel)- (CHEBI:68969) has role metabolite (CHEBI:25212)
Annosquatin-I, (rel)- (CHEBI:68969) is a polyketide (CHEBI:26188)
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:oxolanes(CHEBI:26912); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);