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CHEBI:223878 - Isarubrolone E

ChEBI IDCHEBI:223878
ChEBI NameIsarubrolone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26NO10
Net Charge+1
Average Mass512.491
Monoisotopic Mass512.15512
SMILESCC[C@H]1OC(=O)C[n+]2c(C)cc3c(c21)C(=O)c1cc(=O)c2c(c(O)c1-3)O[C@@H]1O[C@H](C)[C@@H](OC)[C@@H](O)[C@]21O
InChIInChI=1S/C26H25NO10/c1-5-14-19-17-11(6-9(2)27(19)8-15(29)36-14)16-12(20(17)30)7-13(28)18-23(21(16)31)37-25-26(18,33)24(32)22(34-4)10(3)35-25/h6-7,10,14,22,24-25,32-33H,5,8H2,1-4H3/p+1/t10-,14-,22-,24-,25+,26-/m1/s1
InChIKeyDKFVPRCUDYCOTC-OMESWHERSA-O
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31070914)
ChEBI Ontology
Outgoing Relation(s)
Isarubrolone E (CHEBI:223878) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(5S,7R,8S,9R,10R,18R)-18-ethyl-2,9,10-trihydroxy-8-methoxy-7,23-dimethyl-4,6,19-trioxa-22-azoniahexacyclo[12.11.0.03,11.05,10.016,25.017,22]pentacosa-1,3(11),13,16(25),17(22),23-hexaene-12,15,20-trione