input word = C00040105

Metabolite InformationStructural formula
Name Ptychantol A
Formula C28H22O4
Mw 422.15180919
CAS RN 250209-26-8
C_ID C00040105 ,
InChIKey MOTBWTKNDKAKBC-UXBLZVDNSA-N
InChICode InChI=1S/C28H22O4/c29-23-11-15-27-22(18-23)10-6-21-9-14-26(30)28(17-21)31-24-12-7-19(8-13-24)4-5-20-2-1-3-25(16-20)32-27/h1-3,6-18,29-30H,4-5H2/b10-6+
SMILES c1cc2cc(c1)CCc1ccc(cc1)Oc1c(ccc(/C=C/c3c(O2)ccc(c3)O)c1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLejeuneaceaePtychanthus striatus Ref.
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OrganismPtychanthus striatus
ReferenceHashimto,Phytochem.,52,(1999),501