input word = C00051142

Metabolite InformationStructural formula
Name Kitigenin
Formula C27H44O6
Mw 464.31378914
CAS RN 6869-43-8
C_ID C00051142
InChIKey FLDVFDQHJBXYFP-UQZSXBFLNA-N
InChICode InChI=1S/C27H44O6/c1-14-5-10-27(32-13-14)15(2)22-20(33-27)11-18-16-6-9-26(31)23(30)19(28)12-21(29)25(26,4)17(16)7-8-24(18,22)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@]5(O)[C@@H](O)[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeReineckea carnea Ref.
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OrganismReineckea carnea
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)