input word = C00055551

Metabolite InformationStructural formula
Name Castamolline
Formula C12H13NO6
Mw 267.07428716
CAS RN 1072443-88-9
C_ID C00055551
InChIKey ZEJUTGUXYIRRIK-RGOKHQFPSA-N
InChICode InChI=1S/C12H13NO6/c14-3-7-8(15)9(16)10(19-7)4-1-5-6(2-4)12(18)13-11(5)17/h1-2,7-10,14-16H,3H2,(H2,13,17,18)/t7-,8+,9-,10+/m1/s1
SMILES O=C1NC(O)=C2C=C([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)C=C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea mollissima Ref.
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