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CHEBI:209922 - Oxichaetoglobosin I

ChEBI IDCHEBI:209922
ChEBI NameOxichaetoglobosin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38N2O7
Net Charge0
Average Mass550.652
Monoisotopic Mass550.26790
SMILESC/C1=C\[C@@H](C)C/C=C/[C@H]2[C@H](O)[C@@]3(C)O[C@@]4(CC(=O)c5ccccc5N)NC(=O)[C@]2(C(=O)CC[C@H](O)C1=O)[C@H]4[C@@H]3C
InChIInChI=1S/C31H38N2O7/c1-16-8-7-10-20-27(38)29(4)18(3)26-30(40-29,15-23(35)19-9-5-6-11-21(19)32)33-28(39)31(20,26)24(36)13-12-22(34)25(37)17(2)14-16/h5-7,9-11,14,16,18,20,22,26-27,34,38H,8,12-13,15,32H2,1-4H3,(H,33,39)/b10-7+,17-14+/t16-,18-,20-,22-,26-,27-,29-,30+,31+/m0/s1
InChIKeyCPQQPGVHHRCGON-MRQNCQJISA-N
ChEBI Ontology
Outgoing Relation(s)
Oxichaetoglobosin I (CHEBI:209922) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1S,2S,3R,4E,7S,8E,11S,15S,18R,19R,20S)-18-[2-(2-aminophenyl)-2-oxoethyl]-2,11-dihydroxy-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.03,15.015,19]henicosa-4,8-diene-10,14,16-trione
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