EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31048 - 100-1

ChEBI IDCHEBI:31048
ChEBI Name100-1
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H34O10
Net Charge0
Average Mass566.603
Monoisotopic Mass566.21520
SMILESC[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)c3ccc5c(c3C4=O)C(=O)C[C@](C)(O)C5)O[C@H](C)[C@H]2O)CC[C@@H]1O
InChIInChI=1S/C31H34O10/c1-13-19(32)8-9-23(40-13)41-22-10-21(39-14(2)27(22)34)16-6-7-18-26(28(16)35)30(37)17-5-4-15-11-31(3,38)12-20(33)24(15)25(17)29(18)36/h4-7,13-14,19,21-23,27,32,34-35,38H,8-12H2,1-3H3/t13-,14+,19-,21+,22+,23-,27+,31+/m0/s1
InChIKeyUHODELBZXFLXFX-UXUTXJLASA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
100-1 (CHEBI:31048) is a angucycline (CHEBI:48130)
Synonym  Source
100-1KEGG COMPOUND
Manual XrefsDatabases
C12405KEGG COMPOUND