input word = C00053890

Metabolite InformationStructural formula
Name Valoneic acid dilactone
Formula C21H10O13
Mw 470.01214041
CAS RN 60202-70-2
C_ID C00053890
InChIKey BPAOAXAAABIQKR-UHFFFAOYSA-N
InChICode InChI=1S/C21H10O13/c22-7-2-6(19(28)29)16(15(27)12(7)24)32-9-3-5-11-10-4(20(30)34-18(11)14(9)26)1-8(23)13(25)17(10)33-21(5)31/h1-3,22-27H,(H,28,29)
SMILES O=C(O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
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