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CHEBI:188643 - jorunnamycin A

ChEBI IDCHEBI:188643
ChEBI Namejorunnamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27N3O7
Net Charge0
Average Mass493.516
Monoisotopic Mass493.18490
SMILES[H][C@@]12CC3=C(C(=O)C(OC)=C(C)C3=O)[C@@]([H])(N1C)[C@]1([H])CC3=C(C(=O)C(OC)=C(C)C3=O)[C@H](CO)N1[C@H]2C#N
InChIInChI=1S/C26H27N3O7/c1-10-21(31)12-7-15-20-19-13(22(32)11(2)26(36-5)24(19)34)6-14(28(20)3)16(8-27)29(15)17(9-30)18(12)23(33)25(10)35-4/h14-17,20,30H,6-7,9H2,1-5H3/t14-,15-,16-,17-,20-/m0/s1
InChIKeyJHAXVYBLQNHGFS-LLYLOPHFSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
jorunnamycin A (CHEBI:188643) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(1R,2S,10R,12R,13S)-10-(hydroxymethyl)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraene-12-carbonitrile
Manual XrefsDatabases
17214311ChemSpider