input word = C00042262

Metabolite InformationStructural formula
Name Avrainvilloside
(-)-Avrainvilloside
Formula C45H87NO9
Mw 785.63808338
CAS RN 866556-24-3
C_ID C00042262 ,
InChIKey KJILUUUMZVFMFK-YLDIODNINA-N
InChICode InChI=1S/C45H87NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-45,49-51H,3-37,46H2,1-2H3/t38-,39-,42-,43+,44-,45+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@@H]1OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)CN)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeUdoteaceaeAvrainvillea nigricans Ref.
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