input word = C00055958

Metabolite InformationStructural formula
Name Jubanine G
Formula C29H43N5O6
Mw 557.32133414
CAS RN 1809869-74-6
C_ID C00055958
InChIKey MUUXRHIHWJZCLF-YHRBTETMSA-N
InChICode InChI=1S/C29H43N5O6/c1-8-17(4)24(33-26(35)18(5)30-6)29(38)34-14-12-22-25(34)28(37)32-23(16(2)3)27(36)31-13-11-19-15-20(40-22)9-10-21(19)39-7/h9-11,13,15-18,22-25,30H,8,12,14H2,1-7H3,(H,31,36)(H,32,37)(H,33,35)/b13-11-/t17-,18+,22-,23-,24-,25-/m0/s1
SMILES O=C1N/C=CC2=CC(O[C@@]3([H])CCN(C([C@@H](NC([C@H](NC)C)=O)[C@@H](C)CC)=O)[C@]3([H])C(N[C@H]1C(C)C)=O)=CC=C2OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus jujuba Ref.
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