input word = C00049234

Metabolite InformationStructural formula
Name Mooniine B
Formula C36H44N2O6
Mw 600.31993715
CAS RN 211444-31-4
C_ID C00049234 ,
InChIKey IISHMYVAZRUMFO-GJUGGDAHNA-N
InChICode InChI=1S/C36H44N2O6/c1-21(39)42-30-19-26-18-28(20-29(30)38(26)3)44-36(41)34-32(23-12-8-5-9-13-23)31(22-10-6-4-7-11-22)33(34)35(40)43-27-16-24-14-15-25(17-27)37(24)2/h4-13,24-34H,14-20H2,1-3H3/t24-,25+,26-,27+,28-,29+,30-,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)N2C)OC(=O)C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum moonii Ref.
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