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CHEBI:234446 - punicalin(2−)

ChEBI IDCHEBI:234446
ChEBI Namepunicalin(2−)
Stars
ASCII Namepunicalin(2-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H20O22
Net Charge-2
Average Mass780.512
Monoisotopic Mass780.04572
SMILESO=C1OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c([O-])c(O)c3oc(=O)c4c(c([O-])c(O)c5oc(=O)c2c3c54)-c2c1cc(O)c(O)c2O
InChIInChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2/p-2/t8-,25-,26-,27-,34?/m1/s1
InChIKeyIQHIEHIKNWLKFB-OBOTWMKHSA-L
ChEBI Ontology
Outgoing Relation(s)
punicalin(2−) (CHEBI:234446) is a carboxylic ester (CHEBI:33308)
UniProt Name  Source
punicalinUniProt
Citations