input word = C00026211

Metabolite InformationStructural formula
Name Ligularidine
O-Acetylcrotaverrine
Formula C21H29NO7
Mw 407.19440229
CAS RN 60872-63-1
C_ID C00026211 ,
InChIKey ZOIAVVNLMDKOIV-JYNHMFOONA-N
InChICode InChI=1S/C21H29NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,13,17H,8-12H2,1-5H3/b15-6-,16-7-/t13-,17+,21-/m0/s1
SMILES O1C(=O)[C@@]([C@H](C/C(=C/C)/C(=O)O[C@H]2C(=O)C(=CCN(CC2)C)C1)C)(C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia dentata Hara Ref.
PlantaeAsteraceaePittocaulon hintonii Ref.
PlantaeFabaceaeCrotalaria walkeri Ref.
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OrganismCrotalaria walkeri
ReferenceSuri,Indian J.Chem.,14B,(1976),471