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CHEBI:213000 - Aspersymmetide A

ChEBI IDCHEBI:213000
ChEBI NameAspersymmetide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC42H42N6O6
Net Charge0
Average Mass726.834
Monoisotopic Mass726.31658
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)Nc2ccccc21
InChIInChI=1S/C42H42N6O6/c49-37-29-17-7-9-19-31(29)43-40(52)36-22-12-24-48(36)42(54)34(26-28-15-5-2-6-16-28)46-38(50)30-18-8-10-20-32(30)44-39(51)35-21-11-23-47(35)41(53)33(45-37)25-27-13-3-1-4-14-27/h1-10,13-20,33-36H,11-12,21-26H2,(H,43,52)(H,44,51)(H,45,49)(H,46,50)/t33-,34-,35-,36-/m0/s1
InChIKeyWBBCRPVEXYAHTH-ZYADHFCISA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (29165326)
ChEBI Ontology
Outgoing Relation(s)
Aspersymmetide A (CHEBI:213000) has functional parent α-amino acid (CHEBI:33704)
Aspersymmetide A (CHEBI:213000) is a organonitrogen compound (CHEBI:35352)
Aspersymmetide A (CHEBI:213000) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4S,10S,21S,27S)-10,27-dibenzyl-2,8,11,19,25,28-hexazapentacyclo[28.4.0.04,8.013,18.021,25]tetratriaconta-1(34),13,15,17,30,32-hexaene-3,9,12,20,26,29-hexone
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62816325ChemSpider