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CHEBI:176133 - 7-Hydroxy-8-O-methylaloin B

ChEBI IDCHEBI:176133
ChEBI Name7-Hydroxy-8-O-methylaloin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O10
Net Charge0
Average Mass448.424
Monoisotopic Mass448.13695
SMILESCOc1c(O)ccc2c1C(=O)c1c(O)cc(CO)cc1C2C1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C22H24O10/c1-31-21-11(25)3-2-9-14(22-20(30)19(29)17(27)13(7-24)32-22)10-4-8(6-23)5-12(26)15(10)18(28)16(9)21/h2-5,13-14,17,19-20,22-27,29-30H,6-7H2,1H3
InChIKeyHDIOAZQFHQKMAI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxy-8-O-methylaloin B (CHEBI:176133) is a anthracenes (CHEBI:46955)
IUPAC Name 
2,8-dihydroxy-6-(hydroxymethyl)-1-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
Manual XrefsDatabases
HMDB0031586HMDB
35013373ChemSpider