CHEBI:32046 - Premithramycin A1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Premithramycin A1
ChEBI ID CHEBI:32046
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H28O12
Net Charge 0
Average Mass 544.505
Monoisotopic Mass 544.15808
InChI InChI=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
InChIKey RPAFQXAVFGSQFL-NYJNVLOGSA-N
SMILES CO[C@H]1[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)C(=O)C(C(C)=O)=C1O
ChEBI Ontology
Outgoing Premithramycin A1 (CHEBI:32046) is a glycoside (CHEBI:24400)
Synonym Source
Premithramycin A1 KEGG COMPOUND
Manual Xref Database
C12384 KEGG COMPOUND
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Last Modified
28 July 2014