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CHEBI:202127 - O-Demethylabierixin

Default Structure
ChEBI IDCHEBI:202127
ChEBI NameO-Demethylabierixin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H66O11
Net Charge0
Average Mass710.946
Monoisotopic Mass710.46051
SMILESC/C(=C\[C@@H](C)C(=O)O)CC[C@@H](O)CC1C[C@@H](O)[C@@H](C)[C@]2(O1)O[C@](C)([C@H]1CC[C@@](C)([C@@H]3O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)O1)C[C@H]2C
InChIInChI=1S/C39H66O11/c1-21(14-24(4)35(43)44)10-11-28(41)17-29-18-30(42)27(7)39(47-29)26(6)19-37(9,50-39)32-12-13-36(8,48-32)34-23(3)16-31(46-34)33-22(2)15-25(5)38(45,20-40)49-33/h14,22-34,40-42,45H,10-13,15-20H2,1-9H3,(H,43,44)/b21-14+/t22-,23-,24+,25+,26+,27+,28+,29?,30+,31+,32+,33-,34+,36-,37-,38-,39+/m0/s1
InChIKeyFAXFZTXEUCHSOG-POPRNECSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1002/(sici)1096-9888(199608)31:8<855::aid-jms363>3.0.co;2-u)
ChEBI Ontology
Outgoing Relation(s)
O-Demethylabierixin (CHEBI:202127) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(E,2R,7R)-7-hydroxy-8-[(2S,4R,5R,6R,7R)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4-dimethyloct-3-enoic acid
Manual XrefsDatabases
78439637ChemSpider