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CHEBI:210216 - Albogrisin D

ChEBI IDCHEBI:210216
ChEBI NameAlbogrisin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34N4O8
Net Charge0
Average Mass530.578
Monoisotopic Mass530.23766
SMILESCNC(=O)[C@H]1[C@H](OC)C2(O)c3ccccc3NC(=O)[C@@]2(C(=O)N[C@@H](CCC(=O)OC)C(=O)C=C(C)C)N1C
InChIInChI=1S/C26H34N4O8/c1-14(2)13-18(31)17(11-12-19(32)37-5)29-24(35)25-23(34)28-16-10-8-7-9-15(16)26(25,36)21(38-6)20(30(25)4)22(33)27-3/h7-10,13,17,20-21,36H,11-12H2,1-6H3,(H,27,33)(H,28,34)(H,29,35)/t17-,20+,21-,25-,26?/m0/s1
InChIKeyDTBLOQZNNCMCCJ-UAPYRXDHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31613107)
ChEBI Ontology
Outgoing Relation(s)
Albogrisin D (CHEBI:210216) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
methyl (4S)-4-[[(1S,2R,3aR)-9b-hydroxy-1-methoxy-3-methyl-2-(methylcarbamoyl)-4-oxo-2,5-dihydro-1H-pyrrolo[2,3-c]quinoline-3a-carbonyl]amino]-7-methyl-5-oxooct-6-enoate
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78315755ChemSpider