input word = C00002779

Metabolite InformationStructural formula
Name Sphagnum acid
Formula C11H10O5
Mw 222.05282343
CAS RN 57100-28-4
C_ID C00002779 ,
InChIKey VOWYJJSQRYBVGK-VMPITWQZSA-N
InChICode InChI=1S/C11H10O5/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-5,12H,6H2,(H,13,14)(H,15,16)/b8-5+
SMILES O=C(O)/C=C(CC(=O)O)c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSphagnaceaeSphagnum megallanicum Ref.
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