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CHEBI:191633 - Annopentocin A

Default Structure
ChEBI IDCHEBI:191633
ChEBI NameAnnopentocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H64O8
Net Charge0
Average Mass612.889
Monoisotopic Mass612.46012
SMILES[H][C@@]1([C@@H](O)CC[C@@H](O)[C@H](O)CCCCCCCCCCCC)CC[C@@H](C[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
InChIInChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31+,32+,33-,34-/m0/s1
InChIKeyZPRYGZNEAVBQEP-DWFITEHMSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
Annopentocin A (CHEBI:191633) is a polyketide (CHEBI:26188)
IUPAC Name 
(2S)-4-[(2R,8R)-2,8-dihydroxy-9-[(2S,5S)-5-[(1S,4R,5R)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
4477530ChemSpider
HMDB0031389HMDB