EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223285 - Rogersonin A

ChEBI IDCHEBI:223285
ChEBI NameRogersonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O8
Net Charge0
Average Mass525.558
Monoisotopic Mass525.21111
SMILESCC1=[N+]([O-])[C@](Cc2cnc3ccccc23)([C@H]2CC(=O)[C@@H](C)OC(=O)/C=C/[C@@H](O)CC[C@@H](C)OC2=O)NC1=O
InChIInChI=1S/C27H31N3O8/c1-15-8-9-19(31)10-11-24(33)38-17(3)23(32)12-21(26(35)37-15)27(29-25(34)16(2)30(27)36)13-18-14-28-22-7-5-4-6-20(18)22/h4-7,10-11,14-15,17,19,21,28,31H,8-9,12-13H2,1-3H3,(H,29,34)/b11-10+/t15-,17-,19+,21+,27-/m1/s1
InChIKeyULJPJPAWVJZGME-IPLDESBTSA-N
Species of MetaboliteComponentSourceComments
Clonostachys rogersoniana (ncbitaxon:122658) - PubMed (30576135)
ChEBI Ontology
Outgoing Relation(s)
Rogersonin A (CHEBI:223285) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,6R,9E,11S,14R)-11-hydroxy-3-[(2R)-2-(1H-indol-3-ylmethyl)-4-methyl-3-oxido-5-oxo-1H-imidazol-3-ium-2-yl]-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione
Manual XrefsDatabases
128440439ChemSpider