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CHEBI:144294 - Roccanin

ChEBI IDCHEBI:144294
ChEBI NameRoccanin
Stars
Submittermwilliams
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FormulaC28H32N4O4
Net Charge0
Average Mass488.588
Monoisotopic Mass488.24236
SMILESO=C1N[C@@H](c2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N[C@@H](c2ccccc2)CC(=O)N2CCC[C@H]12
InChIInChI=1S/C28H32N4O4/c33-25-17-21(19-9-3-1-4-10-19)29-27(35)23-13-7-16-32(23)26(34)18-22(20-11-5-2-6-12-20)30-28(36)24-14-8-15-31(24)25/h1-6,9-12,21-24H,7-8,13-18H2,(H,29,35)(H,30,36)/t21-,22-,23-,24+/m1/s1
InChIKeyPDLPVRYEPINIBU-YCAMKHIRSA-N
ChEBI Ontology
Outgoing Relation(s)
Roccanin (CHEBI:144294) is a azamacrocycle (CHEBI:52898)
Roccanin (CHEBI:144294) is a keratan 6'-sulfate (CHEBI:18331)