EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210692 - 12beta-hydroxy-13alpha-methoxyverruculogen B

ChEBI IDCHEBI:210692
ChEBI Name12beta-hydroxy-13alpha-methoxyverruculogen B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35N3O7
Net Charge0
Average Mass525.602
Monoisotopic Mass525.24750
SMILESCOc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3OC
InChIInChI=1S/C28H35N3O7/c1-15(2)12-21-30-19-13-16(35-5)9-10-17(19)22-23(30)20(14-27(3,4)38-37-21)31-25(32)18-8-7-11-29(18)26(33)28(31,34)24(22)36-6/h9-10,12-13,18,20-21,24,34H,7-8,11,14H2,1-6H3/t18-,20-,21+,24-,28-/m0/s1
InChIKeyCGNTVLXZFURCER-TWOBULICSA-N
ChEBI Ontology
Outgoing Relation(s)
12beta-hydroxy-13alpha-methoxyverruculogen B (CHEBI:210692) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(9R,14S,17S,23S,24S)-23-hydroxy-5,24-dimethoxy-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-dione
Manual XrefsDatabases
78439153ChemSpider