input word = C00028401

Metabolite InformationStructural formula
Name Isojervine
Formula C27H39NO3
Mw 425.29299412
CAS RN 2303-30-2
C_ID C00028401 ,
InChIKey JEOLXONPOHXANX-IJTPYDIFNA-N
InChICode InChI=1S/C27H39NO3/c1-14-11-22(30)25(28-13-14)16(3)19-7-8-20-21-6-5-17-12-18(29)9-10-27(17,4)24(21)26(31)23(20)15(19)2/h5,14,16,18,20,22-23,25,28-30H,6-13H2,1-4H3/t14-,16-,18-,20-,22+,23-,25-,27-/m0/s1
SMILES [C@H]1(CC2=CCC3=C([C@]2(CC1)C)C(=O)[C@@H]1[C@H]3CCC(=C1C)[C@@H]([C@H]1[C@@H](C[C@@H](CN1)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum lobelianum Ref.
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