input word = C00047951

Metabolite InformationStructural formula
Name Kirenol
Formula C20H34O4
Mw 338.24570957
CAS RN 52659-56-0
C_ID C00047951 ,
InChIKey NRYNTARIOIRWAB-RDPRIDPHNA-N
InChICode InChI=1S/C20H34O4/c1-18(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,14-17,21-24H,4-7,9-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+/m1/s1
SMILES C1[C@@H]2C(=C[C@](C1)([C@H](CO)O)C)CC[C@H]1[C@]2(C[C@@H](C[C@]1(CO)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Siegesbeckia orientalis Ref.
--Siegesbeckia orientalis var.pubescens Ref.
--Siegesbeckia pubescens Ref.
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OrganismSiegesbeckia orientalis var.pubescens
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Guo, et al., Acta Pharmaceutica Sinica(Yaoxue Xuebao), 32, (1997), 282.

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).

Xiang, et al., Journal of Natural Products, 67, (2004), 1517