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 x uplandicum Ref.
PlantaeBoraginaceaeSymphytum caucasicum Ref.
PlantaeBoraginaceaeSymphytum officinale Ref.
PlantaeBoraginaceaeSymphytum officinalis Ref.
PlantaeBoraginaceaeSymphytum orientale Ref.
PlantaeBoraginaceaeSymphytum tuberosum Ref.
PlantaeBoraginaceaeSymphytum uplandicum Ref.
--Symphytine Ref.
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OrganismMyosotis scorpioides
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter26