input word = C00027587

Metabolite InformationStructural formula
Name Preocoteine
Formula C21H25NO5
Mw 371.17327292
CAS RN 18161-86-9
C_ID C00027587 ,
InChIKey XTOKXEQMTBIOGT-YQTOOIBONA-N
InChICode InChI=1S/C21H25NO5/c1-22-7-6-12-17-14(22)8-11-9-15(24-2)16(25-3)10-13(11)18(17)19(23)21(27-5)20(12)26-4/h9-10,14,23H,6-8H2,1-5H3/t14-/m0/s1
SMILES c1(c(cc2c(c1)c1c3[C@H](C2)N(CCc3c(c(c1O)OC)OC)C)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeLauraceaeOcotea gomezii Ref.
PlantaeRanunculaceaeThalictrum fendleri Engelm. Ref.
PlantaeRanunculaceaeThalictrum minus L. Ref.
PlantaeRanunculaceaeThalictrum simplex Ref.
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OrganismThalictrum simplex
ReferenceVelcheva,Phytochem.,42,(1996),435