input word = C00040107

Metabolite InformationStructural formula
Name Ptychantol C
(-)-Ptychantol C
Formula C28H22O5
Mw 438.14672381
CAS RN 250209-28-0
C_ID C00040107 ,
InChIKey SBCZHIYYNHMOJQ-XBXARRHUNA-N
InChICode InChI=1S/C28H22O5/c29-22-9-13-27-21(16-22)8-4-19-7-12-25(30)28(15-19)32-23-10-5-18(6-11-23)14-26(31)20-2-1-3-24(17-20)33-27/h1-13,15-17,26,29-31H,14H2/b8-4+/t26-/m1/s1
SMILES Oc1ccc2c(c1)/C=C/c1ccc(O)c(c1)Oc1ccc(cc1)CC(O)c1cccc(c1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLejeuneaceaePtychanthus striatus Ref.
zoom in