input word = C00040106

Metabolite InformationStructural formula
Name Ptychantol B
Formula C28H22O5
Mw 438.14672381
CAS RN 250209-27-9
C_ID C00040106 ,
InChIKey AWRXEILMVYDSJV-RMKNXTFCSA-N
InChICode InChI=1S/C28H22O5/c29-22-10-13-26-21(17-22)9-6-20-15-25(30)28(31)27(16-20)32-23-11-7-18(8-12-23)4-5-19-2-1-3-24(14-19)33-26/h1-3,6-17,29-31H,4-5H2/b9-6+
SMILES Oc1ccc2c(c1)/C=C/c1cc(O)c(O)c(c1)Oc1ccc(cc1)CCc1cccc(c1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLejeuneaceaePtychanthus striatus Ref.
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