input word = C00035924

Metabolite InformationStructural formula
Name Revandchinone 4
Formula C33H48O7
Mw 556.34000389
CAS RN 528837-78-7
C_ID C00035924 ,
InChIKey ABZUEKDPGNIZLP-UHFFFAOYNA-N
InChICode InChI=1S/C33H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-40-33(39)26-19-24(23-34)20-28(36)30(26)32(38)31-27(33)21-25(35)22-29(31)37/h19-22,34-37,39H,2-18,23H2,1H3/t33-/m0/s1
SMILES c12c(C(=O)c3c([C@@]1(OCCCCCCCCCCCCCCCCCC)O)cc(cc3O)CO)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum emodi Ref.
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