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Penitrem C

PropertiesImageOccurences in reactions
MNX_IDMNXM1100374Image of MNXM1100374
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC37H44ClNO4
charge0
mass601.29589
referencekeggC:C20795
InChIKeyBVVRIERIEDMORG-UWOVGSIKSA-N
InChIInChI=1S/C37H44ClNO4/c1-16(2)31-25(40)14-21-26(42-31)9-10-35(6)36(7)20(8-11-37(21,35)41)32-30-29-24(39-33(30)36)15-23(38)19-12-17(3)18-13-22(27(18)28(19)29)34(4,5)43-32/h14-15,18,20,22,25-27,31-32,39-41H,1,3,8-13H2,2,4-7H3/t18-,20+,22+,25-,26+,27+,31-,32+,35-,36-,37-/m1/s1
SMILESC=C1Cc2c(Cl)cc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(=C)C)O[C@H]3CC[C@]2(C)[C@@]41C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd31354
seedM:cpd31354
kegg.compound:C20795
keggC:C20795
Penitrem C
keggC:M_C20795
seedM:M_cpd31354
secondary/obsolete/fantasy identifier