input word = C00050541

Metabolite InformationStructural formula
Name beta,beta-Dimethylacrylalkannin
Formula C21H22O6
Mw 370.14163844
CAS RN 34539-65-6
C_ID C00050541
InChIKey BATBOVZTQBLKIL-KRWDZBQOSA-N
InChICode InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1
SMILES CC(C)=CC[C@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeAlkanna tinctoria Ref.
PlantaeBoraginaceaeArnebia euchroma Ref.
PlantaeBoraginaceaeLithospermum erythrorhizon Ref.
PlantaeBoraginaceaeOnosma paniculata Ref.
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OrganismAlkanna tinctoria
ReferenceOu, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Ji, et al., Pharmacological Action and Application of Available Antitumor Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1998).