input word = C00002122

Metabolite InformationStructural formula
Name Symlandine
Formula C20H31NO6
Mw 381.21513773
CAS RN 74410-74-5
C_ID C00002122 ,
InChIKey MVWPTZQHBOWRTF-NTBLKVCPNA-N
InChICode InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/t14-,16+,17+,20-/m0/s1
SMILES [C@@H]12N(CC=C1COC(=O)[C@@]([C@H](C)O)(C(C)C)O)CC[C@H]2OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeSymphytum officinale Ref.
PlantaeBoraginaceaeSymphytum uplandicum Ref.
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OrganismSymphytum officinale
ReferenceKim,J.Nat.Prod.,64,(2001),251