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CHEBI:34806 - Krm 1657

Default Structure
ChEBI IDCHEBI:34806
ChEBI NameKrm 1657
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC50H62N4O13
Net Charge0
Average Mass927.061
Monoisotopic Mass926.43134
SMILESCCCN1CCN(c2cc(O)c3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O7)C6=O)CC1
InChIInChI=1S/C50H62N4O13/c1-11-16-53-17-19-54(20-18-53)31-22-32(56)38-34(23-31)66-47-39(51-38)35-36-43(59)29(7)46-37(35)48(61)50(9,67-46)64-21-15-33(63-10)26(4)45(65-30(8)55)28(6)42(58)27(5)41(57)24(2)13-12-14-25(3)49(62)52-40(47)44(36)60/h12-15,21-24,26-28,33,41-42,45,56-59H,11,16-20H2,1-10H3,(H,52,62)/b13-12+,21-15+,25-14-/t24-,26+,27+,28+,33-,41-,42+,45+,50-/m0/s1
InChIKeyKDFFQLYROXGQFM-VDPAUJFTSA-N
ChEBI Ontology
Outgoing Relation(s)
Krm 1657 (CHEBI:34806) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Krm 1657KEGG COMPOUND
Manual XrefsDatabases
C14539KEGG COMPOUND
Registry NumbersSources
CAS:133633-12-2KEGG COMPOUND