input word = C00035921

Metabolite InformationStructural formula
Name Revandchinone 1
Formula C34H46O6
Mw 550.3294392
CAS RN 528837-75-4
C_ID C00035921 ,
InChIKey VBRSAXVZIFOMBJ-QXMHVHEDNA-N
InChICode InChI=1S/C34H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(37)40-34-26-20-24(2)21-28(35)31(26)33(38)32-27(34)22-25(39-3)23-29(32)36/h11-12,20-23,34-36H,4-10,13-19H2,1-3H3/b12-11-/t34-/m0/s1
SMILES c12c(C(=O)c3c([C@@H]1OC(=O)CCCCCCC/C=C\CCCCCCCC)cc(cc3O)C)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum emodi Ref.
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