input word = C00003720

Metabolite InformationStructural formula
Name Neoquassin
Formula C22H30O6
Mw 390.20423869
CAS RN 76-77-7
C_ID C00003720 ,
InChIKey BDQNCUODBJZKIY-NGDRIKABNA-N
InChICode InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12-,13-,15+,16-,19-,21+,22-/m0/s1
SMILES C1(=C[C@@H]([C@H]2[C@](C1=O)([C@@H]1[C@]3([C@@H](C2)O[C@@H](C[C@H]3C(=C(C1=O)OC)C)O)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
PlantaeSimaroubaceaePicrasma ailanthoides Ref.
PlantaeSimaroubaceaePicrasma javanica Ref.
PlantaeSimaroubaceaePicrasma quassioides Ref.
PlantaeSimaroubaceaePicrasma spp. Ref.
PlantaeSimaroubaceaeQuassia amara Ref.
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OrganismPicrasma quassioides
ReferenceYang, et al., Chapter 30, KU MU, in Modern Studies of Chinese Herbal Medicine, edited by Institute of Materia Medica, Chinese Academy of Medical Sciences, Vol.2, 452-71, Union Press of Beijing Medical University and Peking Union Medical College, Beijing, (1996).

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

Chinese 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)