input word = C00055458

Metabolite InformationStructural formula
Name N-Demethylfrangulanine
Formula C27H42N4O4
Mw 486.32060586
CAS RN 52309-78-1
C_ID C00055458
InChIKey ARFZEJYVBXGWDN-GRRJPEHCSA-N
InChICode InChI=1S/C27H42N4O4/c1-8-18(6)22(28-7)26(33)31-23-24(17(4)5)35-20-11-9-19(10-12-20)13-14-29-25(32)21(15-16(2)3)30-27(23)34/h9-14,16-18,21-24,28H,8,15H2,1-7H3,(H,29,32)(H,30,34)(H,31,33)/b14-13-/t18-,21-,22-,23-,24+/m0/s1
SMILES CC[C@H](C)[C@H](NC)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=Cc2ccc(cc2)O[C@@H]1C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeHovenia dulcis Ref.
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OrganismHovenia dulcis
ReferenceWarnhoff, E.W. et al., Can. J. Chem., 1965, 43, 2594 (isol, uv, pmr, ms)