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CHEBI:233990 - phlegmacin(1−)

ChEBI IDCHEBI:233990
ChEBI Namephlegmacin(1−)
Stars
ASCII Namephlegmacin(1-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H29O10
Net Charge-1
Average Mass573.574
Monoisotopic Mass573.17662
SMILESCOc1cc(O)c2c(O)c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4[O-])C(=O)C[C@](C)(O)C6)c2c1)C[C@@](C)(O)CC3=O
InChIInChI=1S/C32H30O10/c1-31(39)9-14-5-13-6-21(42-4)27(29(37)23(13)28(36)22(14)19(34)11-31)24-16-7-15(41-3)8-18(33)25(16)30(38)26-17(24)10-32(2,40)12-20(26)35/h5-8,33,36-40H,9-12H2,1-4H3/p-1/t31-,32-/m1/s1
InChIKeyKHKKXNJCLMGHNY-ROJLCIKYSA-M
ChEBI Ontology
Outgoing Relation(s)
phlegmacin(1−) (CHEBI:233990) is a anthraquinone (CHEBI:22580)
UniProt Name  Source
phlegmacinUniProt
Citations