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 OC1=CC=CC(C2=O)=C1C(C3=C2C4=C(C(C5=C(C4=O)C(O)=CC=C5)=O)C6=C3C(C7=C(C6=O)C(O)=CC=C7)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJuglandaceaeJuglans regia Ref.
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