input word = C00050890

Metabolite InformationStructural formula
Name Isocolumbin
Formula C20H22O6
Mw 358.14163844
CAS RN 471-54-5
C_ID C00050890
InChIKey AALLCALQGXXWNA-YNWNMNQCNA-N
InChICode InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13-,14+,15+,18-,19-,20+/m0/s1
SMILES C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]1(C)[C@@H]2[C@@H]2C=C[C@@]1(O)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeDioscoreophyllum cumminsii Ref.
PlantaeMenispermaceaeTinospora sagittata Ref.
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OrganismTinospora sagittata
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)