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CHEBI:200788 - Umbilicaxanthoside B

ChEBI IDCHEBI:200788
ChEBI NameUmbilicaxanthoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H46O16
Net Charge0
Average Mass734.748
Monoisotopic Mass734.27859
SMILESCOc1cc(CC=C(C)C)c(O)c2c(=O)c3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc(O)c3oc12
InChIInChI=1S/C36H46O16/c1-14(2)6-8-16-10-20(47-5)33-24(25(16)40)27(42)23-17(9-7-15(3)4)19(11-18(39)32(23)51-33)48-35-31(46)29(44)34(22(13-38)50-35)52-36-30(45)28(43)26(41)21(12-37)49-36/h6-7,10-11,21-22,26,28-31,34-41,43-46H,8-9,12-13H2,1-5H3/t21-,22-,26-,28+,29-,30-,31-,34-,35-,36+/m1/s1
InChIKeyYLEGIEQVRCJSJM-KTWKAPDWSA-N
Species of MetaboliteComponentSourceComments
Umbilicaria proboscidea (ncbitaxon:232780) - DOI (10.1016/s0031-9422(02)00539-3)
ChEBI Ontology
Outgoing Relation(s)
Umbilicaxanthoside B (CHEBI:200788) is a xanthones (CHEBI:51149)
IUPAC Name 
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,5-dihydroxy-4-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
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10189151ChemSpider