input word = C00057498

Metabolite InformationStructural formula
Name Neocretanin
Formula C20H20O13
Mw 468.09039073
CAS RN 67771-96-4
C_ID C00057498
InChIKey QNCVLUMAFVDLOF-RGCXKDKSSA-N
InChICode InChI=1S/C20H20O13/c21-5-7-1-11(24)18(12(25)2-7)33-20-17(29)16(28)15(27)13(32-20)6-31-19(30)8-3-9(22)14(26)10(23)4-8/h1-5,13,15-17,20,22-29H,6H2/t13-,15-,16+,17-,20+/m1/s1
SMILES O=Cc1cc(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)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea crenata Ref.
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