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 c1cc2cc(c1)CCc1ccc(cc1)Oc1c(c(cc(/C=C/c3c(O2)ccc(c3)O)c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLejeuneaceaePtychanthus striatus Ref.
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