input word = C00050715

Metabolite InformationStructural formula
Name 4-[(2S,3S)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
Formula C18H16O4
Mw 296.104859
CAS RN 666250-54-0
C_ID C00050715
InChIKey SJZOQGKPKOQBFS-FPQVDWNGNA-N
InChICode InChI=1S/C18H16O4/c1-3-4-12-5-8-16-17(9-12)22-18(11(2)21-16)14-7-6-13(19)10-15(14)20/h5-11,18-20H,1-2H3/t11-,18+/m0/s1
SMILES CC#Cc1ccc2c(c1)O[C@@H](c1ccc(O)cc1O)[C@H](C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeRodgersia podophylla Ref.
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