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 c1cc2cc(c1)[C@@H](Cc1ccc(cc1)Oc1c(ccc(/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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