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CHEBI:205283 - 13-oxoverruculogen

ChEBI IDCHEBI:205283
ChEBI Name13-oxoverruculogen
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O7
Net Charge0
Average Mass509.559
Monoisotopic Mass509.21620
SMILESCOc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)C3=O
InChIInChI=1S/C27H31N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,27+/m0/s1
InChIKeyUZFGSEBLPZQQGI-WUBMGLGTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/j.tet.2008.06.013)
ChEBI Ontology
Outgoing Relation(s)
13-oxoverruculogen (CHEBI:205283) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(9R,14S,17S,23R)-23-hydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22,24-trione
Manual XrefsDatabases
27023460ChemSpider