input word = C00008731

Metabolite InformationStructural formula
Name (2R,3R)-Pinobanksin 3-acetate
Formula C17H14O6
Mw 314.07903818
CAS RN 52117-69-8
C_ID C00008731 ,
InChIKey BJYHZSNSMVEQEH-LQKAMQBPNA-N
InChICode InChI=1S/C17H14O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,16-17,19-20H,1H3/t16-,17-/m1/s1
SMILES c1c(c2c(cc1O)O[C@@H]([C@@H](C2=O)OC(=O)C)c1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis trinervis Ref.
PlantaeMyricaceaeComptonia peregrina Ref.
PlantaeMyricaceaeMyrica pensylvanica Ref.
PlantaePinaceaePinus armandii Ref.
PlantaeSalicaceaePopulus deltoides Ref.
PlantaeSalicaceaePopulus gemma Ref.
PlantaeZingiberaceaeAlpinia japonica Ref.
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