input word = C00054247

Metabolite InformationStructural formula
Name Cyclotrijuglone
Formula C30H12O9
Mw 516.04813198
CAS RN 50838-55-6
C_ID C00054247
InChIKey DNGCQXLPUZWYNB-UHFFFAOYSA-N
InChICode InChI=1S/C30H12O9/c31-13-7-1-4-10-16(13)28(37)22-19(25(10)34)23-21(27(36)11-5-2-8-14(32)17(11)29(23)38)24-20(22)26(35)12-6-3-9-15(33)18(12)30(24)39/h1-9,31-33H
SMILES O=c1c2cccc(O)c2c(=O)c2c1c1c(=O)c3c(O)cccc3c(=O)c1c1c(=O)c3c(O)cccc3c(=O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJuglandaceaeJuglans regia Ref.
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