input word = C00008795

Metabolite InformationStructural formula
Name Daphnodorin C
Formula C30H22O9
Mw 526.1263823
CAS RN 95733-04-3
C_ID C00008795 ,
InChIKey ISQNBCHHDNWNEQ-HGQXBWPUNA-N
InChICode InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)37-22)30(29(38-24)15-3-7-17(32)8-4-15)28(36)25-21(35)11-18(33)12-23(25)39-30/h1-8,11-13,22,29,31-35H,9-10H2/t22-,29-,30+/m0/s1
SMILES O=C1c2c(O)cc(O)cc2O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)CC3)O[C@H]2c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne odora Ref.
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