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CHEBI:222561 - Abierixin

Default Structure
ChEBI IDCHEBI:222561
ChEBI NameAbierixin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H68O11
Net Charge0
Average Mass724.973
Monoisotopic Mass724.47616
SMILESCO[C@@H]1C[C@H](C[C@@H](O)CC[C@H](C)/C=C(/C)C(=O)O)O[C@]2(O[C@@](C)([C@@H]3CC[C@@](C)([C@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@@H](C)C[C@H]5C)C[C@@H]4C)O3)C[C@@H]2C)[C@H]1C
InChIInChI=1S/C40H68O11/c1-22(15-25(4)36(43)44)11-12-29(42)18-30-19-31(46-10)28(7)40(48-30)27(6)20-38(9,51-40)33-13-14-37(8,49-33)35-24(3)17-32(47-35)34-23(2)16-26(5)39(45,21-41)50-34/h15,22-24,26-35,41-42,45H,11-14,16-21H2,1-10H3,(H,43,44)/b25-15-/t22-,23+,24-,26-,27-,28-,29-,30-,31+,32+,33-,34-,35-,37-,38+,39-,40+/m0/s1
InChIKeyJQESXHYTUWEFCM-YIXJCDIJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3841534)
ChEBI Ontology
Outgoing Relation(s)
Abierixin (CHEBI:222561) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(Z,4S,7S)-7-hydroxy-8-[(2R,4S,5R,6S,7R,9S)-2-[(2S,5S)-5-[(2S,3S,5R)-5-[(2S,3R,5S,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4-dimethyloct-2-enoic acid
Manual XrefsDatabases
78443021ChemSpider