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CHEBI:81705 - Dihydrogranaticin

Default Structure
ChEBI IDCHEBI:81705
ChEBI NameDihydrogranaticin
Stars
DownloadsMolfile
FormulaC22H22O10
Net Charge0
Average Mass446.408
Monoisotopic Mass446.12130
SMILES[H][C@@]12C[C@@H](O)[C@@](O)(c3c(O)c4c(c(O)c31)C(=O)C1=C(C4=O)[C@H](C)O[C@@H](CC(=O)O)C1)[C@@H](C)O2
InChIInChI=1S/C22H22O10/c1-6-13-9(3-8(31-6)4-12(24)25)18(26)15-16(19(13)27)21(29)17-14(20(15)28)10-5-11(23)22(17,30)7(2)32-10/h6-8,10-11,23,28-30H,3-5H2,1-2H3,(H,24,25)/t6-,7+,8+,10+,11+,22+/m0/s1
InChIKeyYJRUVYZQSJVSCI-GNHMSDOPSA-N
ChEBI Ontology
Outgoing Relation(s)
Dihydrogranaticin (CHEBI:81705) is a anthraquinone (CHEBI:22580)
Manual XrefsDatabases
C18359KEGG COMPOUND
Registry NumbersSources
CAS:63999-06-4KEGG COMPOUND