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CHEBI:32046 - Premithramycin A1

Default Structure
ChEBI IDCHEBI:32046
ChEBI NamePremithramycin A1
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H28O12
Net Charge0
Average Mass544.509
Monoisotopic Mass544.15808
SMILES[H][C@@]12Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]1(O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1)C(=O)C(C(C)=O)=C(O)[C@H]2OC
InChIInChI=1S/C27H28O12/c1-9(28)18-23(34)24(37-3)14-6-12-4-11-5-13(29)7-15(30)19(11)22(33)20(12)26(36)27(14,25(18)35)39-17-8-16(31)21(32)10(2)38-17/h4-5,7,10,14,16-17,21,24,29-34H,6,8H2,1-3H3/t10-,14+,16-,17+,21-,24+,27-/m1/s1
InChIKeyRPAFQXAVFGSQFL-NYJNVLOGSA-N
ChEBI Ontology
Outgoing Relation(s)
Premithramycin A1 (CHEBI:32046) is a glycoside (CHEBI:24400)
Synonym  Source
Premithramycin A1KEGG COMPOUND
Manual XrefsDatabases
C12384KEGG COMPOUND