CHEBI:68971 - uvarigrandin A

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ChEBI Name uvarigrandin A
ChEBI ID CHEBI:68971
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/c1-3-4-5-6-7-10-13-16-19-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)20-17-14-11-8-9-12-15-18-30(38)22-21-29-27-28(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 SXPGOPRMCQROGB-WGCJABNLSA-N
SMILES [H][C@@]1(CC[C@@]([H])(O1)[C@@]1([H])CC[C@@]([H])(O1)[C@H](O)CCCCCCCCC[C@H](O)CCC1=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 uvarigrandin A (CHEBI:68971) has role metabolite (CHEBI:25212)
uvarigrandin A (CHEBI:68971) is a polyketide (CHEBI:26188)
Synonyms Sources
(2S)-4-[(3S,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one ChEBI
(5S)-3-[(3S,13R)-3,13-Dihydroxy-13-{(2R,2'R,5R,5'R)-5'-[(1R)-1-hydroxyundecyl]octahydro-2,2'-bifuran-5-yl}tridecyl]-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: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);