input word = C00026215

Metabolite InformationStructural formula
Name Neoligularidine
Formula C21H29NO7
Mw 407.19440229
CAS RN 90364-91-3
C_ID C00026215 ,
InChIKey ZOIAVVNLMDKOIV-DHCAGBJJNA-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 N1(CC=C2C(=O)[C@@H](CC1)OC(=O)/C(=C/C)/C[C@@H]([C@](C(=O)OC2)(OC(=O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia dentata Hara Ref.
PlantaeAsteraceaePittocaulon bombycophole Ref.
PlantaeAsteraceaePittocaulon filare Ref.
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