input word = C00003443

Metabolite InformationStructural formula
Name Isodonal
Formula C22H28O7
Mw 404.18350325
CAS RN 16964-56-0
C_ID C00003443 ,
InChIKey QKDLQFSLLCQTOH-WNKPJLINNA-N
InChICode InChI=1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1
SMILES C1CC([C@H]([C@]2([C@H]1OC(=O)[C@]13[C@H]2[C@H](C[C@H](C1)C(=C)C3=O)O)COC(=O)C)C=O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
PlantaeLabiataeIsodon japonicus Ref.
PlantaeLabiataeIsodon rubescens var. lushanensis Ref.
PlantaeLabiataeIsodon sinuolata Ref.
PlantaeLamiaceaeRabdosia macrophylla Ref.
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OrganismIsodon japonica
ReferenceJi, et al., Pharmacological Action and Application of Available Antitumor Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1998).

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

Sun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001).

HAN, et al., Chem Pharm Bull, 51, (2003), 790