input word = C00055410

Metabolite InformationStructural formula
Name Aloe emodin omega-acetate
Formula C17H12O6
Mw 312.06338812
CAS RN 65615-58-9
C_ID C00055410
InChIKey FUECAILUKAJTBR-UHFFFAOYSA-N
InChICode InChI=1S/C17H12O6/c1-8(18)23-7-9-5-11-15(13(20)6-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-6,19-20H,7H2,1H3
SMILES CC(OCC1=CC(C(C2=C(C3=O)C(O)=CC=C2)=O)=C3C(O)=C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRumex acetosa Ref.
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OrganismRumex acetosa
ReferenceTutin, F. et al., JCS, 1911, 99, 946 (isol)