CHEBI:68970 - Annosquatin-II, (rel)-

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Annosquatin-II, (rel)-
ChEBI ID CHEBI:68970
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/c1-3-4-13-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-15-12-10-8-6-5-7-9-11-14-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32-,33+,34-,35-,36-/m0/s1
InChIKey WAKFSRBZGHGMPD-OKPRCEDISA-N
SMILES [H][C@]1(CC[C@@H](CCCCCCCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1)[C@@H](O)CC[C@@H](O)[C@]1([H])CC[C@]([H])(O1)[C@@H](O)CCCCC
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-II, (rel)- (CHEBI:68970) has role metabolite (CHEBI:25212)
Annosquatin-II, (rel)- (CHEBI:68970) 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: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);