input word = C00031951

Metabolite InformationStructural formula
Name Kadsuric acid
Formula C30H46O4
Mw 470.33960996
CAS RN 62393-88-8
C_ID C00031951 ,
InChIKey JGNPDWQZTUZFHK-JUNNUSKHNA-N
InChICode InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,20,22-23,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-/t20-,22+,23-,25-,28+,29-,30+/m1/s1
SMILES C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura coccinea Ref.
PlantaeSchisandraceaeKadsura japonica Ref.
PlantaeSchisandraceaeSchisandra henryi Ref.
PlantaeSchisandraceaeSchisandra micrantha Ref.
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OrganismSchisandra henryi
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).

Zhou, et al., Chinese Pharmaceutical Journal(Zhongguo Yaoxue Zazhi), 38, (2003), 81.

LI, et al., Chem Pharm Bull, 51, (2003), 1174