input word = C00008794

Metabolite InformationStructural formula
Name Daphnodorin A
Formula C30H22O9
Mw 526.1263823
CAS RN 95733-03-2
C_ID C00008794 ,
InChIKey SFIBBWQCUADULX-QWVACARCNA-N
InChICode InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)23-10-9-19-20(34)13-24-26(30(19)38-23)27(29(39-24)15-3-7-17(32)8-4-15)28(37)25-21(35)11-18(33)12-22(25)36/h1-8,11-13,23,31-36H,9-10H2/t23-/m0/s1
SMILES c12cc(c3c(c1c(c(o2)c1ccc(cc1)O)C(=O)c1c(cc(cc1O)O)O)O[C@@H](CC3)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne odora Ref.
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