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CHEBI:172735 - Sennidin B

ChEBI IDCHEBI:172735
ChEBI NameSennidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H18O10
Net Charge0
Average Mass538.464
Monoisotopic Mass538.09000
SMILES[H][C@]1([C@]2([H])c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc32)c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21
InChIInChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+
InChIKeyJPMRHWLJLNKRTJ-SZPZYZBQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Sennidin B (CHEBI:172735) is a anthracenes (CHEBI:46955)
IUPAC Name 
(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
Manual XrefsDatabases
8635293ChemSpider
HMDB0002895HMDB
Registry NumbersSources
CAS:517-44-2ChemIDplus