EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145905 - tellimagrandin II(2−)

Default Structure
ChEBI IDCHEBI:145905
ChEBI Nametellimagrandin II(2−)
Stars
ASCII Nametellimagrandin II(2-)
Last Modified14 March 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC41H28O26
Net Charge-2
Average Mass936.649
Monoisotopic Mass936.08798
SMILESO=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3[O-])C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c([O-])c(O)c1
InChIInChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/p-2/t23-,33-,34+,35-,41+/m1/s1
InChIKeyJCGHAEBIBSEQAD-UUUCSUBKSA-L
ChEBI Ontology
Outgoing Relation(s)
tellimagrandin II(2−) (CHEBI:145905) is a phenolate anion (CHEBI:50525)
tellimagrandin II(2−) (CHEBI:145905) is conjugate base of eugeniin (CHEBI:4916)
Incoming Relation(s)
eugeniin (CHEBI:4916) is conjugate acid of tellimagrandin II(2−) (CHEBI:145905)
UniProt Name  Source
tellimagrandin IIUniProt
Citations