EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213720 - 13-O-prenyl-26-hydroxyverruculogen

ChEBI IDCHEBI:213720
ChEBI Name13-O-prenyl-26-hydroxyverruculogen
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41N3O8
Net Charge0
Average Mass595.693
Monoisotopic Mass595.28937
SMILESCOc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)[C@@H](O)[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C
InChIInChI=1S/C32H41N3O8/c1-17(2)12-14-41-28-24-20-11-10-19(40-7)16-22(20)34-23(15-18(3)4)42-43-31(5,6)27(36)26(25(24)34)35-29(37)21-9-8-13-33(21)30(38)32(28,35)39/h10-12,15-16,21,23,26-28,36,39H,8-9,13-14H2,1-7H3/t21-,23+,26+,27-,28-,32+/m0/s1
InChIKeyPQHVXIYRRCWHND-MNPVNPTDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24473173)
ChEBI Ontology
Outgoing Relation(s)
13-O-prenyl-26-hydroxyverruculogen (CHEBI:213720) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(9R,13S,14R,17S,23R,24S)-13,23-dihydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-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-dione
Manual XrefsDatabases
32674760ChemSpider