CHEBI:31051 - 104-2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 104-2
ChEBI ID CHEBI:31051
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)15(27)6-17(34-9)10-3-4-11-20(22(10)30)24(32)12-5-14(26)13-7-25(2,33)8-16(28)18(13)19(12)23(11)31/h3-5,9,15,17,21,26-27,29-30,33H,6-8H2,1-2H3/t9-,15-,17-,21-,25-/m1/s1
InChIKey WOFFYFKONQZKOV-MMELWNKQSA-N
SMILES C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)c1ccc2C(=O)c3c(cc(O)c4C[C@@](C)(O)CC(=O)c34)C(=O)c2c1O
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 104-2 (CHEBI:31051) is a angucycline (CHEBI:48130)
Synonym Source
104-2 KEGG COMPOUND
Manual Xref Database
C12407 KEGG COMPOUND
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Last Modified
28 July 2014