input word = C00000439

Metabolite InformationStructural formula
Name Ptilodene
Formula C20H28O4
Mw 332.19875938
CAS RN 115330-89-7
C_ID C00000439 ,
InChIKey ZHQGOCLBNWZRIU-YAPLNPGCNA-N
InChICode InChI=1S/C20H28O4/c1-2-3-13-18(21)15-11-12-16-19(22)14-9-7-5-4-6-8-10-17-20(23)24/h3-4,6-7,9,11-13,15-16,19,22H,2,5,8,10,14,17H2,1H3,(H,23,24)/b6-4-,9-7-,13-3+,15-11+,16-12+/t19-/m1/s1
SMILES C(CC/C=C\C/C=C\C[C@H](/C=C/C=C\C(=O)/C=C/CC)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Ptilota filicina Ref.
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