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CHEBI:215582 - Nidurufin-2'-(4-O-methyl)-beta-D-glucopyranose

ChEBI IDCHEBI:215582
ChEBI NameNidurufin-2'-(4-O-methyl)-beta-D-glucopyranose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O13
Net Charge0
Average Mass560.508
Monoisotopic Mass560.15299
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2CC[C@@]3(C)Oc4cc5c(c(O)c4[C@@H]2O3)C(=O)c2c(O)cc(O)cc2C5=O)O[C@@H]1CO
InChIInChI=1S/C27H28O13/c1-27-4-3-13(37-26-23(35)22(34)25(36-2)15(8-28)38-26)24(40-27)18-14(39-27)7-11-17(21(18)33)20(32)16-10(19(11)31)5-9(29)6-12(16)30/h5-7,13,15,22-26,28-30,33-35H,3-4,8H2,1-2H3/t13-,15-,22-,23-,24-,25-,26-,27+/m1/s1
InChIKeyUJFRXIHRUIYXDV-QGTVOCGTSA-N
Species of MetaboliteComponentSourceComments
Aschersonia (ncbitaxon:100986) - DOI (10.1016/j.tetlet.2013.05.036)
ChEBI Ontology
Outgoing Relation(s)
Nidurufin-2'-(4-O-methyl)-beta-D-glucopyranose (CHEBI:215582) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,17R,20R)-20-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,7,9-trihydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione
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78438085ChemSpider