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CHEBI:199909 - Pithomycolide

ChEBI IDCHEBI:199909
ChEBI NamePithomycolide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36N2O8
Net Charge0
Average Mass552.624
Monoisotopic Mass552.24717
SMILESCC1NC(=O)C(C)N(C)C(=O)C(C(C)C)OC(=O)CC(c2ccccc2)OC(=O)CC(c2ccccc2)OC1=O
InChIInChI=1S/C30H36N2O8/c1-18(2)27-29(36)32(5)20(4)28(35)31-19(3)30(37)39-24(22-14-10-7-11-15-22)17-25(33)38-23(16-26(34)40-27)21-12-8-6-9-13-21/h6-15,18-20,23-24,27H,16-17H2,1-5H3,(H,31,35)
InChIKeyPRZLSSSUPGEMFV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pithomycolide (CHEBI:199909) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3,6,7-trimethyl-13,17-diphenyl-9-propan-2-yl-1,10,14-trioxa-4,7-diazacycloheptadecane-2,5,8,11,15-pentone
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