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CHEBI:216373 - Versicoamide H

ChEBI IDCHEBI:216373
ChEBI NameVersicoamide H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H33N3O8
Net Charge0
Average Mass587.629
Monoisotopic Mass587.22677
SMILESCC1(C)C=Cc2c(ccc3c4c(n(O)c23)C(C)(C)[C@@H]2C[C@]35CCCN3C(=O)[C@]23[C@H]4[C@@H]2OC(CO)=CC(=O)[C@]2(O)N3C5=O)O1
InChIInChI=1S/C32H33N3O8/c1-28(2)10-8-16-18(43-28)7-6-17-21-22-25-32(40,20(37)12-15(14-36)42-25)35-26(38)30-9-5-11-33(30)27(39)31(22,35)19(13-30)29(3,4)24(21)34(41)23(16)17/h6-8,10,12,19,22,25,36,40-41H,5,9,11,13-14H2,1-4H3/t19-,22+,25-,30-,31+,32+/m0/s1
InChIKeyKNGHYNFAEHAHAY-NPJDYMNGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus tennesseensis (ncbitaxon:1220210) - PubMed (28181808)
ChEBI Ontology
Outgoing Relation(s)
Versicoamide H (CHEBI:216373) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,4S,9S,10S,25S,26R)-4,22-dihydroxy-7-(hydroxymethyl)-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-6,11(23),12(21),13,15(20),18-hexaene-2,5,27-trione