input word = C00036199

Metabolite InformationStructural formula
Name Pinelloside
Formula C40H75NO9
Mw 713.544183
CAS RN 640755-95-9
C_ID C00036199 ,
InChIKey IASCSWGEBWPMAV-MDLQACFTNA-N
InChICode InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,26,28,32-38,40,42-47H,3-12,14,16-25,27,29-31H2,1-2H3,(H,41,48)/b15-13+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]([C@@H](/C=C/CCCCC/C=C/CCCCCC)O)NC(=O)[C@@H](CCCCCCCCCCCCCC)O)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeAraceaePinellia ternata (Thunb.) Breit Ref.
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