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CHEBI:195271 - 1-({[2-(2-furylmethyl)-5-methylpyrrolidinyl]amino}methylene)-7-[8-({[2-(2-fury lmethyl)pyrrolidinyl]amino}methylene)-1,6-dihydroxy-3-methyl-5-(methylethyl)-7 -oxo(2-naphthyl)]-3,8-dihydroxy-6-methyl-4-(methylethyl)naphthalen-2-one

ChEBI IDCHEBI:195271
ChEBI Name1-({[2-(2-furylmethyl)-5-methylpyrrolidinyl]amino}methylene)-7-[8-({[2-(2-fury lmethyl)pyrrolidinyl]amino}methylene)-1,6-dihydroxy-3-methyl-5-(methylethyl)-7 -oxo(2-naphthyl)]-3,8-dihydroxy-6-methyl-4-(methylethyl)naphthalen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H56N4O8
Net Charge0
Average Mass829.007
Monoisotopic Mass828.40981
SMILESCc1cc2c(C(C)C)c(O)c(O)c(/C=N\N3CCCC3Cc3ccco3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N\N3C(C)CCC3Cc3ccco3)c2c1O
InChIInChI=1S/C49H56N4O8/c1-25(2)38-34-19-27(5)40(46(56)42(34)36(44(54)48(38)58)23-50-52-16-8-11-30(52)21-32-12-9-17-60-32)41-28(6)20-35-39(26(3)4)49(59)45(55)37(43(35)47(41)57)24-51-53-29(7)14-15-31(53)22-33-13-10-18-61-33/h9-10,12-13,17-20,23-26,29-31,54-59H,8,11,14-16,21-22H2,1-7H3/b50-23-,51-24-
InChIKeyKXQUQNTZGWAIHS-OITXWLCHSA-N
ChEBI Ontology
Outgoing Relation(s)
1-({[2-(2-furylmethyl)-5-methylpyrrolidinyl]amino}methylene)-7-[8-({[2-(2-fury lmethyl)pyrrolidinyl]amino}methylene)-1,6-dihydroxy-3-methyl-5-(methylethyl)-7 -oxo(2-naphthyl)]-3,8-dihydroxy-6-methyl-4-(methylethyl)naphthalen-2-one (CHEBI:195271) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[8-[(Z)-[2-(uran-2-ylmethyl)-5-methylpyrrolidin-1-yl]iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-8-[(Z)-[2-(uran-2-ylmethyl)pyrrolidin-1-yl]iminomethyl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol