input word = C00035922

Metabolite InformationStructural formula
Name Revandchinone 2
Formula C43H66O5
Mw 662.49102522
CAS RN 528837-76-5
C_ID C00035922 ,
InChIKey RNTGMQSIVNIXSZ-UHFFFAOYNA-N
InChICode InChI=1S/C43H66O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-39(46)48-43-35-29-28-30-37(44)40(35)42(47)41-36(43)32-34(2)33-38(41)45/h28-30,32-33,43-45H,3-27,31H2,1-2H3/t43-/m0/s1
SMILES c12c(C(=O)c3c([C@H]1OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)cc(cc3O)C)c(ccc2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum emodi Ref.
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