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CHEBI:197576 - (4S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one

ChEBI IDCHEBI:197576
ChEBI Name(4S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O12
Net Charge0
Average Mass504.444
Monoisotopic Mass504.12678
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@@H](Oc2cc(O)c3c(=O)c4c(O)c5c(cc4oc3c2)O[C@H]2OCC[C@@H]52)O[C@@H]1CO
InChIInChI=1S/C24H24O12/c1-31-22-14(7-25)36-24(21(30)20(22)29)33-8-4-10(26)16-11(5-8)34-13-6-12-15(18(27)17(13)19(16)28)9-2-3-32-23(9)35-12/h4-6,9,14,20-27,29-30H,2-3,7H2,1H3/t9-,14+,20+,21+,22+,23+,24-/m0/s1
InChIKeyAYRLBXKNNSGCHV-OKFDLKHQSA-N
Species of MetaboliteComponentSourceComments
Aschersonia (ncbitaxon:100986) - DOI (10.1016/j.tet.2012.07.059)
ChEBI Ontology
Outgoing Relation(s)
(4S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one (CHEBI:197576) is a xanthones (CHEBI:51149)
IUPAC Name 
(4S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
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78436232ChemSpider