input word = C00054855

Metabolite InformationStructural formula
Name Aloeemodin-chrysophanol bianthrone
Formula C30H22O7
Mw 494.13655306
CAS RN 17062-56-5
C_ID C00054855
InChIKey AGYHUJLPTURBHW-UHFFFAOYSA-N
InChICode InChI=1S/C30H22O7/c1-13-8-17-23(15-4-2-6-19(32)25(15)29(36)27(17)21(34)9-13)24-16-5-3-7-20(33)26(16)30(37)28-18(24)10-14(12-31)11-22(28)35/h2-11,23-24,31-35H,12H2,1H3
SMILES Cc1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(CO)cc31)c1cccc(O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum palmatum Ref.
PlantaeRhamnaceaeRhamnus purshiana Ref.
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