input word = C00007993

Metabolite InformationStructural formula
Name Sieboldin
Formula C21H24O11
Mw 452.13186161
CAS RN 18777-73-6
C_ID C00007993 ,
InChIKey XJHMLSKQZFKMLL-OHPGNTIMNA-N
InChICode InChI=1S/C21H24O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1,3,5-7,16,18-23,25-30H,2,4,8H2/t16-,18-,19+,20-,21-/m1/s1
SMILES c1(cc(c(c(c1)O)C(=O)CCc1cc(c(cc1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora tobiraco Ref.
PlantaeRosaceaeMalus floribunda Ref.
PlantaeRosaceaeMalus sargentii Ref.
PlantaeRosaceaeMalus sieboldii Ref.
PlantaeRosaceaeMalus spp. Ref.
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