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CHEBI:216366 - Versicoamide G

ChEBI IDCHEBI:216366
ChEBI NameVersicoamide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H37N3O8
Net Charge0
Average Mass603.672
Monoisotopic Mass603.25807
SMILESCO[C@@]1(CO)CC(=O)[C@@]2(O)[C@@H](O1)[C@H]1c3c(nc4c5c(ccc34)OC(C)(C)C=C5)C(C)(C)[C@@H]3C[C@]45CCCN4C(=O)[C@]13N2C5=O
InChIInChI=1S/C33H37N3O8/c1-28(2)11-9-16-18(43-28)8-7-17-21-22-25-33(41,20(38)14-31(15-37,42-5)44-25)36-26(39)30-10-6-12-35(30)27(40)32(22,36)19(13-30)29(3,4)24(21)34-23(16)17/h7-9,11,19,22,25,34,37,41H,6,10,12-15H2,1-5H3/t19-,22+,25-,30-,31-,32+,33+/m0/s1
InChIKeyIGEMAPSDHDGGAC-PUYUKHBJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus tennesseensis (ncbitaxon:1220210) - PubMed (28181808)
ChEBI Ontology
Outgoing Relation(s)
Versicoamide G (CHEBI:216366) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,4S,7S,9S,10S,25S,26R)-4-hydroxy-7-(hydroxymethyl)-7-methoxy-17,17,24,24-tetramethyl-8,16-dioxa-3,22,28-triazanonacyclo[23.6.1.01,28.03,26.04,9.010,26.011,23.012,21.015,20]dotriaconta-11(23),12(21),13,15(20),18-pentaene-2,5,27-trione