input word = C00054856

Metabolite InformationStructural formula
Name Aloeemodin-emodin bianthrone
Formula C30H22O8
Mw 510.13146768
CAS RN 17062-55-4
C_ID C00054856
InChIKey DJTVMANCSQLMCX-UHFFFAOYSA-N
InChICode InChI=1S/C30H22O8/c1-12-5-16-24(18-9-14(32)10-22(36)28(18)30(38)26(16)20(34)6-12)23-15-3-2-4-19(33)25(15)29(37)27-17(23)7-13(11-31)8-21(27)35/h2-10,23-24,31-36H,11H2,1H3
SMILES CC1=CC(C(C(C2=C3C(O)=CC(CO)=C2)C4=C(C3=O)C(O)=CC=C4)C5=C6C(O)=CC(O)=C5)=C(C6=O)C(O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum palmatum Ref.
zoom in