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CHEBI:201409 - TPU-0037A

ChEBI IDCHEBI:201409
ChEBI NameTPU-0037A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H72N4O10
Net Charge0
Average Mass841.100
Monoisotopic Mass840.52484
SMILESCC(=CCC(O)C=CC(C)C(O)C=CCC(O)C=CCC(O)CC1CCCN1C(=N)N)C(O)C(C)CCC1C(C)=CC2C(O)C(O)CCC2C1(C)C(O)=C1C(=O)CNC1=O
InChIInChI=1S/C46H72N4O10/c1-26(37(54)13-7-11-31(51)10-6-12-33(53)24-30-9-8-22-50(30)45(47)48)14-17-32(52)18-15-27(2)41(57)28(3)16-19-35-29(4)23-34-36(20-21-38(55)42(34)58)46(35,5)43(59)40-39(56)25-49-44(40)60/h6-7,10,13-15,17,23,26,28,30-38,41-42,51-55,57-59H,8-9,11-12,16,18-22,24-25H2,1-5H3,(H3,47,48)(H,49,60)
InChIKeyUXOJELXNKQYYOV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
TPU-0037A (CHEBI:201409) is a pyrroline (CHEBI:23763)
IUPAC Name 
2-[(4E,8E,12E,16E)-21-[1-[(E)-(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5,6-dihydroxy-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-11,17,19-trimethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide