input word = C00054068

Metabolite InformationStructural formula
Name Castamollissin
Formula C20H20O13
Mw 468.09039073
CAS RN 115355-99-2
C_ID C00054068
InChIKey SVCSAQHJACEOFN-JQAJVKEVSA-N
InChICode InChI=1S/C20H20O13/c21-5-7-1-9(22)15(26)12(2-7)32-20-18(29)17(28)16(27)13(33-20)6-31-19(30)8-3-10(23)14(25)11(24)4-8/h1-5,13,16-18,20,22-29H,6H2/t13-,16-,17+,18-,20-/m1/s1
SMILES O=Cc1cc(O)c(O)c(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea mollissima Ref.
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