EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215913 - Armochaeglobine B

ChEBI IDCHEBI:215913
ChEBI NameArmochaeglobine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42N2O5
Net Charge0
Average Mass558.719
Monoisotopic Mass558.30937
SMILESC=C(OC)[C@@H]1CC(=O)[C@@]23C(=O)N[C@@H](Cc4cnc5ccccc45)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/C[C@H](C)/C=C(\C)[C@H]1O
InChIInChI=1S/C34H42N2O5/c1-18-10-9-12-25-31-33(5,41-31)20(3)29-27(15-22-17-35-26-13-8-7-11-23(22)26)36-32(39)34(25,29)28(37)16-24(21(4)40-6)30(38)19(2)14-18/h7-9,11-14,17-18,20,24-25,27,29-31,35,38H,4,10,15-16H2,1-3,5-6H3,(H,36,39)/b12-9+,19-14+/t18-,20-,24-,25-,27-,29-,30+,31-,33+,34+/m0/s1
InChIKeyPSWPDXORNKHAFN-CNDBIANFSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (25615686)
ChEBI Ontology
Outgoing Relation(s)
Armochaeglobine B (CHEBI:215913) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,4R,5S,6E,8S,10E,12R,13S,15R,16S,17R,18S)-5-hydroxy-18-(1H-indol-3-ylmethyl)-4-(1-methoxyethenyl)-6,8,15,16-tetramethyl-14-oxa-19-azatetracyclo[10.8.0.01,17.013,15]icosa-6,10-diene-2,20-dione
Manual XrefsDatabases
78438100ChemSpider