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CHEBI:201188 - Xyloketal F

ChEBI IDCHEBI:201188
ChEBI NameXyloketal F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H52O10
Net Charge0
Average Mass704.857
Monoisotopic Mass704.35605
SMILESC[C@@H]1C[C@H]2Cc3c(O)c(Cc4c(O)c5c(c6c4O[C@@]4(C)OC[C@H](C)[C@H]4C6)O[C@@]4(C)OC[C@H](C)[C@H]4C5)c4c(c3O[C@@]2(C)O1)C[C@@H]1[C@@H](C)CO[C@]1(C)O4
InChIInChI=1S/C41H52O10/c1-18-15-44-39(6)29(18)12-26-33(43)25(36-28(37(26)51-39)14-31-20(3)17-46-41(31,8)50-36)11-24-32(42)23-10-22-9-21(4)47-38(22,5)48-34(23)27-13-30-19(2)16-45-40(30,7)49-35(24)27/h18-22,29-31,42-43H,9-17H2,1-8H3/t18-,19-,20-,21+,22-,29+,30+,31+,38+,39+,40+,41+/m0/s1
InChIKeyVJBKZFKSBYUPIA-HLRBXTRNSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1002/ejoc.200500326)
ChEBI Ontology
Outgoing Relation(s)
Xyloketal F (CHEBI:201188) is a chromenes (CHEBI:23232)
IUPAC Name 
(4R,6R,8R,15R,18R,19R)-12-[[(4R,7R,8R,15R,18R,19R)-11-hydroxy-4,7,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1,10,12-trien-12-yl]methyl]-4,6,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1,10,12-trien-11-ol
Manual XrefsDatabases
78436734ChemSpider