input word = C00054391

Metabolite InformationStructural formula
Name Dihydroxyacidissiminin
Formula C43H67NO6
Mw 693.49683888
CAS RN 1203465-66-0
C_ID C00054391
InChIKey NNHQOPWEQFVNCF-MTQKDGCESA-N
InChICode InChI=1S/C43H67NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(46)50-39(34-40(45)43(3,4)48)35(2)31-33-49-38-28-26-36(27-29-38)30-32-44-42(47)37-23-20-19-21-24-37/h19-21,23-24,26-29,31,39-40,45,48H,5-18,22,25,30,32-34H2,1-4H3,(H,44,47)/b35-31+/t39-,40-/m1/s1
SMILES C/C([C@@H](C[C@@H](O)C(C)(O)C)OC(CCCCCCCCCCCCCCCCC)=O)=CCOC1=CC=C(CCNC(C2=CC=CC=C2)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeLimonia acidissima Ref.
zoom in