input word = C00026507

Metabolite InformationStructural formula
Name Lolicine A
Formula C38H53NO5
Mw 603.39237381
CAS RN 201214-57-5
C_ID C00026507 ,
InChIKey LUBQWHCYCGWUJS-QIOVYPRJNA-N
InChICode InChI=1S/C38H53NO5/c1-33(2,42)28-18-26(40)37(8)25-13-10-19-16-22-29-21-17-23-30(35(5,6)44-34(23,3)4)31(41)20(21)11-12-24(29)39-32(22)38(19,9)36(25,7)15-14-27(37)43-28/h11-12,19,23,25-28,30,39-40,42H,10,13-18H2,1-9H3/t19-,23+,25+,26+,27-,28-,30-,36-,37+,38+/m0/s1
SMILES [C@H]12[C@@]([C@@]3([C@@H](CC1)[C@]1([C@H](CC3)O[C@@H](C[C@H]1O)C(O)(C)C)C)C)(c1c(C2)c2c([nH]1)ccc1c2C[C@@H]2[C@@H](C1=O)C(OC2(C)C)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
PlantaePoaceaeLolium perenne Ref.
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