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CHEBI:217628 - Difficidin

ChEBI IDCHEBI:217628
ChEBI NameDifficidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H45O6P
Net Charge0
Average Mass544.669
Monoisotopic Mass544.29538
SMILESC=CC=C(C)CCC1CC=CC=C(C)C(OP(=O)(O)O)CCCC=CC=CC=CCC(C)C(=C)CC(=O)O1
InChIInChI=1S/C31H45O6P/c1-6-17-25(2)22-23-29-20-16-15-19-27(4)30(37-38(33,34)35)21-14-12-10-8-7-9-11-13-18-26(3)28(5)24-31(32)36-29/h6-11,13,15-17,19,26,29-30H,1,5,12,14,18,20-24H2,2-4H3,(H2,33,34,35)
InChIKeyZUWUQYGHRURWCL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (3123448)
ChEBI Ontology
Outgoing Relation(s)
Difficidin (CHEBI:217628) is a macrolide (CHEBI:25106)
IUPAC Name 
[7,19-dimethyl-2-(3-methylhexa-3,5-dienyl)-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate
Manual XrefsDatabases
26559277ChemSpider