CHEBI:68968 - Annosquacin-I, (rel)-

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ChEBI Name Annosquacin-I, (rel)-
ChEBI ID CHEBI:68968
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 C37H66O7
Net Charge 0
Average Mass 622.91570
Monoisotopic Mass 622.48085
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-12-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-10-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30?,31+,32-,33+,34+,35+,36+/m0/s1
InChIKey GHKXYVAVEAMUNF-SWWNTVRDSA-N
SMILES [H][C@@]1(CC[C@@]([H])(O1)[C@@]1([H])CC[C@@]([H])(O1)[C@@H](O)CCCC(O)CCCCCCCCCCC)[C@H](O)CCCCCCCC1=C[C@H](C)OC1=O
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 Annosquacin-I, (rel)- (CHEBI:68968) has role metabolite (CHEBI:25212)
Annosquacin-I, (rel)- (CHEBI:68968) 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);