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CHEBI:209680 - Chaetoglobosin O

ChEBI IDCHEBI:209680
ChEBI NameChaetoglobosin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N2O5
Net Charge0
Average Mass530.665
Monoisotopic Mass530.27807
SMILESCC1=C(C)[C@H]2[C@H](Cc3cnc4ccccc34)NC(=O)[C@]23C(=O)CCC(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C32H38N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,23,25,28-30,33,37-38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,23-,25-,28-,29+,30+,32+/m0/s1
InChIKeyLXPGDDICGFGPQK-ADLVRWPASA-N
Species of MetaboliteComponentSourceComments
Calonectria kyotensis (ncbitaxon:40623) - PubMed (27299410)
ChEBI Ontology
Outgoing Relation(s)
Chaetoglobosin O (CHEBI:209680) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,6R,7E,9S,11E,13R,14S,17R,18S)-6,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,15-triene-2,5,20-trione
Manual XrefsDatabases
8635081ChemSpider