input word = C00002123

Metabolite InformationStructural formula
Name Symphytine
Formula C20H31NO6
Mw 381.21513773
CAS RN 22571-95-5
C_ID C00002123 ,
InChIKey MVWPTZQHBOWRTF-CUGQNHOLNA-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/b13-6+/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
PlantaeBoraginaceaeMyosotis scorpioides Ref.
PlantaeBoraginaceaeSymphytum asperum Ref.
PlantaeBoraginaceaeSymphytum bohemium Ref.
PlantaeBoraginaceaeSymphytum caucasicum Ref.
PlantaeBoraginaceaeSymphytum consolidum Ref.
PlantaeBoraginaceaeSymphytum grandiflorum Ref.
PlantaeBoraginaceaeSymphytum ibericum Ref.
PlantaeBoraginaceaeSymphytum officinale Ref.
PlantaeBoraginaceaeSymphytum officinalis Ref.
PlantaeBoraginaceaeSymphytum orientale Ref.
PlantaeBoraginaceaeSymphytum peregrinum Ref.
PlantaeBoraginaceaeSymphytum tanaiense Ref.
PlantaeBoraginaceaeSymphytum tuberosum Ref.
PlantaeBoraginaceaeSymphytum uplandicum Ref.
PlantaeBoraginaceaeSymphytum x uplandicum Ref.
--Symphytine Ref.
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