input word = C00001693

Metabolite InformationStructural formula
Name Borreverine
Formula C32H40N4
Mw 480.32529731
CAS RN 51109-65-0
C_ID C00001693 ,
InChIKey PHMBUGRSZKDHNS-MBQBHONPNA-N
InChICode InChI=1S/C32H40N4/c1-20-18-24-27(30(2,3)19-20)28(29-22(14-16-33-4)21-10-6-8-12-25(21)34-29)31-15-17-36(5)32(24,31)35-26-13-9-7-11-23(26)31/h6-13,18,24,27-28,33-35H,14-17,19H2,1-5H3/t24?,27-,28-,31+,32+/m0/s1
SMILES CNCCc1c([C@@H]2[C@@H]3[C@H](C=C(C)CC3(C)C)[C@]34Nc5ccccc5[C@]23CCN4C)[nH]c2ccccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeBorreria verticillata Ref.
PlantaeRutaceaeFlindersia fournieri Ref.
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OrganismFlindersia fournieri
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20