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CHEBI:181922 - [(1S)-1-[(1R,5R,6S,11S,12R,14R)-9,12-Dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl] 2,4-dimethyl-1H-pyrrole-3-carboxylate

ChEBI IDCHEBI:181922
ChEBI Name[(1S)-1-[(1R,5R,6S,11S,12R,14R)-9,12-Dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl] 2,4-dimethyl-1H-pyrrole-3-carboxylate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42N2O6
Net Charge0
Average Mass538.685
Monoisotopic Mass538.30429
SMILES[H][C@]12CC=C3[C@@]45CC=C([C@H](C)OC(=O)c6c(C)cnc6C)[C@]4(C[C@@H](O)[C@@]34OC(O)(CC[C@@]14C)C2)CN(C)CCO5
InChIInChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21+,24+,27-,28-,29?,30?,31-/m0/s1
InChIKeyISNYUQWBWALXEY-FIPLRFTCSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1S)-1-[(1R,5R,6S,11S,12R,14R)-9,12-Dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl] 2,4-dimethyl-1H-pyrrole-3-carboxylate (CHEBI:181922) is a pyrroles (CHEBI:26455)
IUPAC Name 
[(1S)-1-[(1R,5R,6S,11S,12R,14R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl] 2,4-dimethyl-1H-pyrrole-3-carboxylate
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C13750KEGG COMPOUND