input word = C00047440

Metabolite InformationStructural formula
Name Dracotanoside C
(-)-Dracotanoside C
Formula C31H41N3O7
Mw 567.29445069
CAS RN 1165808-45-6
C_ID C00047440 ,
InChIKey CLPCQMNDVNDJJP-FLRJKYKDNA-N
InChICode InChI=1S/C31H41N3O7/c1-21-28(37)29(38)30(39)31(40-21)41-24-13-11-23(12-14-24)25-20-26(35)33-17-7-19-34(18-6-5-16-32-25)27(36)15-10-22-8-3-2-4-9-22/h2-4,8-15,21,25,28-32,37-39H,5-7,16-20H2,1H3,(H,33,35)/b15-10-/t21-,25-,28-,29+,30+,31-/m0/s1
SMILES C1N(CCCNC(=O)C[C@H](NCCC1)c1ccc(cc1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C(=O)/C=C\c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Lys
Organism
Kingdom Family Species Reference
PlantaeLabiataeDracocephalum tanguricum Ref.
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