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CHEBI:223874 - Isarubrolone D

ChEBI IDCHEBI:223874
ChEBI NameIsarubrolone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H31N2O9
Net Charge+1
Average Mass575.594
Monoisotopic Mass575.20241
SMILESCCCc1c2c(cc(C)[n+]1-c1ccccc1C(N)=O)-c1c(cc(=O)c3c(c1O)O[C@@H]1O[C@H](C)[C@@H](OC)[C@@H](O)[C@]31O)C2=O
InChIInChI=1S/C31H30N2O9/c1-5-8-19-22-16(11-13(2)33(19)18-10-7-6-9-15(18)29(32)38)21-17(24(22)35)12-20(34)23-27(25(21)36)42-30-31(23,39)28(37)26(40-4)14(3)41-30/h6-7,9-12,14,26,28,30,37,39H,5,8H2,1-4H3,(H2,32,38)/p+1/t14-,26-,28-,30+,31-/m1/s1
InChIKeyZLYLXECEHFPPDA-GNFVXSCISA-O
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31070914)
ChEBI Ontology
Outgoing Relation(s)
Isarubrolone D (CHEBI:223874) is a furopyran (CHEBI:74927)
IUPAC Name 
2-[(15R,16R,17S,18R,20S)-2,15,16-trihydroxy-17-methoxy-6,18-dimethyl-10,13-dioxo-8-propyl-19,21-dioxa-7-azoniapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaen-7-yl]benzamide