input word = C00035157

Metabolite InformationStructural formula
Name Rouremin
(-)-Rouremin
Formula C45H87NO9
Mw 785.63808338
CAS RN 906670-58-4
C_ID C00035157 ,
InChIKey ADDGQEWZHSZZRP-DCNRZZAKNA-N
InChICode InChI=1S/C45H87NO9/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(48)54-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)36-52-40(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h38-39,42-45,49-51H,3-37,46H2,1-2H3/t38-,39+,42+,43-,44+,45+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CN)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeConnaraceaeRourea minor Ref.
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