input word = C00026188

Metabolite InformationStructural formula
Name Echihumiline
Formula C20H31NO7
Mw 397.21005235
CAS RN 174285-73-5
C_ID C00026188 ,
InChIKey XQRINBJLKOBTMI-JJYTYGBTNA-N
InChICode InChI=1S/C20H31NO7/c1-12(2)10-16(23)28-15-7-9-21-8-6-14(17(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6,10,13,15,17,22,25-26H,7-9,11H2,1-5H3/t13-,15+,17+,20-/m0/s1
SMILES C1C[C@H]([C@@H]2N1CC=C2COC(=O)[C@@]([C@@H](O)C)(C(C)(C)O)O)OC(=O)C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeEchium vulgare Ref.
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OrganismEchium vulgare
ReferenceLiddell,Nat.Prod.Rep.,15,(1998),363