input word = C00049233

Metabolite InformationStructural formula
Name Mooniine A
Formula C36H44N2O6
Mw 600.31993715
CAS RN 211444-30-3
C_ID C00049233 ,
InChIKey RIVCLOHZRRTVNF-MVJHRXBENA-N
InChICode InChI=1S/C36H44N2O6/c1-3-30(39)44-29-17-23-16-26(20-28(29)37-23)42-35(40)33-31(21-10-6-4-7-11-21)32(22-12-8-5-9-13-22)34(33)36(41)43-27-18-24-14-15-25(19-27)38(24)2/h4-13,23-29,31-34,37H,3,14-20H2,1-2H3/t23-,24-,25+,26-,27+,28+,29-,31+,32+,33-,34-/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@H]1C[C@H]2[C@@H](C[C@@H](C1)N2)OC(=O)CC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Secologanin L-Phe
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum moonii Ref.
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