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CHEBI:146029 - (P)-hypocrellin(2−)

ChEBI IDCHEBI:146029
ChEBI Name(P)-hypocrellin(2−)
Stars
ASCII Name(P)-hypocrellin(2-)
DefinitionThis is compound 12 in pmid:30809363
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC29H22O9
Net Charge-2
Average Mass514.486
Monoisotopic Mass514.12748
SMILESCOc1c2c3c4c(cc(=O)c5c([O-])cc(OC)c(c6c(OC)cc([O-])c(c1=O)c63)c54)C[C@@](C)(O)[C@H]2C(C)=O
InChIInChI=1S/C29H24O9/c1-10(30)26-25-23-17-11(9-29(26,2)35)6-12(31)18-13(32)7-15(36-3)20(22(17)18)21-16(37-4)8-14(33)19(24(21)23)27(34)28(25)38-5/h6-8,26,32-33,35H,9H2,1-5H3/p-2/t26-,29+/m0/s1
InChIKeyPRMLSTHLMDFDMP-LITSAYRRSA-L
ChEBI Ontology
Outgoing Relation(s)
(P)-hypocrellin(2−) (CHEBI:146029) is a phenolate anion (CHEBI:50525)
UniProt Name  Source
(P)-hypocrellinUniProt
Citations