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CHEBI:203207 - Xyloketal J

ChEBI IDCHEBI:203207
ChEBI NameXyloketal J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O6
Net Charge0
Average Mass518.650
Monoisotopic Mass518.26684
SMILESC=C(C)C1Cc2cc(Cc3c(O)c4c(c5c3O[C@@]3(C)OC[C@H](C)[C@H]3C5)O[C@@]3(C)OC[C@H](C)[C@H]3C4)ccc2O1
InChIInChI=1S/C32H38O6/c1-16(2)27-11-20-9-19(7-8-26(20)36-27)10-21-28(33)22-12-24-17(3)14-34-31(24,5)38-30(22)23-13-25-18(4)15-35-32(25,6)37-29(21)23/h7-9,17-18,24-25,27,33H,1,10-15H2,2-6H3/t17-,18-,24+,25+,27?,31+,32+/m0/s1
InChIKeyCFRIENBZULZHAO-SZRJWENPSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (18500842)
ChEBI Ontology
Outgoing Relation(s)
Xyloketal J (CHEBI:203207) is a chromenes (CHEBI:23232)
IUPAC Name 
(4R,7R,8R,15R,18R,19R)-4,7,15,18-tetramethyl-12-[(2-prop-1-en-2-yl-2,3-dihydro-1-benzouran-5-yl)methyl]-3,5,14,16-tetraoxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1,10,12-trien-11-ol
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24719262ChemSpider