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CHEBI:172739 - BL II

ChEBI IDCHEBI:172739
ChEBI NameBL II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H22O12
Net Charge0
Average Mass550.472
Monoisotopic Mass550.11113
SMILESCC(=O)Oc1cc2oc3c(OC(C)=O)c(-c4ccc(O)cc4)c(OC(C)=O)c(OC(C)=O)c3c2cc1OC(C)=O
InChIInChI=1S/C28H22O12/c1-12(29)35-21-10-19-20(11-22(21)36-13(2)30)40-28-24(19)27(39-16(5)33)25(37-14(3)31)23(26(28)38-15(4)32)17-6-8-18(34)9-7-17/h6-11,34H,1-5H3
InChIKeyBKYOIMKDXAUYEQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
BL II (CHEBI:172739) has functional parent hexacarboxylic acid (CHEBI:59359)
BL II (CHEBI:172739) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[3,6,8,9-tetraacetyloxy-7-(4-hydroxyphenyl)dibenzouran-2-yl] acetate
Manual XrefsDatabases
HMDB0039565HMDB
8228847ChemSpider