input word = C00027193

Metabolite InformationStructural formula
Name Bismorphine B
Formula C34H36N2O6
Mw 568.2573369
CAS RN 575487-91-1
C_ID C00027193 ,
InChIKey NPUAGQSOGDMMPN-DCTASMRSNA-N
InChICode InChI=1S/C34H36N2O6/c1-35-11-9-33-18-4-6-22(37)31(33)42-30-25(8-3-16(27(30)33)13-20(18)35)40-26-15-24(39)29-28-17(26)14-21-19-5-7-23(38)32(41-29)34(19,28)10-12-36(21)2/h3-8,15,18-23,31-32,37-39H,9-14H2,1-2H3/t18-,19-,20+,21+,22-,23-,31-,32-,33-,34-/m0/s1
SMILES c1(c2c3c(cc1)C[C@@H]1[C@H]4[C@@]3([C@H]([C@H](C=C4)O)O2)CCN1C)Oc1c2c3c(c(c1)O)O[C@@H]1[C@]43[C@H]([C@@H](C2)N(CC4)C)C=C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaePapaveraceaePapaver somniferum Ref.
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