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CHEBI:198458 - TPU-0037-B

ChEBI IDCHEBI:198458
ChEBI NameTPU-0037-B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H72N4O9
Net Charge0
Average Mass837.112
Monoisotopic Mass836.52993
SMILESCC1=CC2C(O)CCCC2C(C)(C(O)=C2C(=O)CNC2=O)C1/C=C/C(C)C(O)/C(C)=C/CC(O)/C=C/C(C)C(O)/C=C/CC(O)/C(C)=C/CC(O)CC1CCCN1C(=N)N
InChIInChI=1S/C47H72N4O9/c1-27(38(54)12-8-13-39(55)28(2)16-21-34(53)25-32-10-9-23-51(32)46(48)49)15-19-33(52)20-17-29(3)43(58)30(4)18-22-36-31(5)24-35-37(11-7-14-40(35)56)47(36,6)44(59)42-41(57)26-50-45(42)60/h8,12,15-19,22,24,27,30,32-40,43,52-56,58-59H,7,9-11,13-14,20-21,23,25-26H2,1-6H3,(H3,48,49)(H,50,60)/b12-8+,19-15+,22-18+,28-16+,29-17+,44-42?
InChIKeyPIZUDZCNPHHDQF-YAHRDNDYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12523820)
ChEBI Ontology
Outgoing Relation(s)
TPU-0037-B (CHEBI:198458) is a pyrroline (CHEBI:23763)
IUPAC Name 
2-[(4E,8E,12E,16E,20E)-21-[1-[(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5-hydroxy-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaenyl]pyrrolidine-1-carboximidamide
Manual XrefsDatabases
78443878ChemSpider