CHEBI:31050 - 104-1

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ChEBI Name 104-1
ChEBI ID CHEBI:31050
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H24O9
Net Charge 0
Average Mass 468.454
Monoisotopic Mass 468.14203
InChI InChI=1S/C25H24O9/c1-9-21(29)14(27)6-16(34-9)11-3-4-12-18(22(11)30)24(32)19-13(26)5-10-7-25(2,33)8-15(28)17(10)20(19)23(12)31/h3-5,9,14,16,21,26-27,29-30,33H,6-8H2,1-2H3/t9-,14-,16-,21-,25-/m1/s1
InChIKey RPINDSDUVXDEGE-WUZSHGJPSA-N
SMILES C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)c1ccc2C(=O)c3c(C(=O)c2c1O)c(O)cc1C[C@@](C)(O)CC(=O)c31
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via angucycline )
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ChEBI Ontology
Outgoing 104-1 (CHEBI:31050) is a angucycline (CHEBI:48130)
Synonym Source
104-1 KEGG COMPOUND
Manual Xref Database
C12403 KEGG COMPOUND
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Last Modified
28 July 2014