input word = C00044314

Metabolite InformationStructural formula
Name Siegesbeckiol
Formula C20H34O3
Mw 322.25079495
CAS RN 141947-34-4
C_ID C00044314 ,
InChIKey QCESQQPIRWFJRU-PLVMUCKZNA-N
InChICode InChI=1S/C20H34O3/c1-17(2)9-14(22)10-18(3)15(17)6-7-19-8-13(4-5-16(18)19)20(23,11-19)12-21/h13-16,21-23H,4-12H2,1-3H3/t13?,14-,15-,16+,18-,19+,20+/m1/s1
SMILES [C@H]1(CC([C@@H]2[C@@](C1)([C@H]1[C@@]3(CC2)C[C@H](CC1)[C@](C3)(CO)O)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon flavidus Ref.
--Siegesbeckia orientalis Ref.
--Siegesbeckia orientalis var.pubescens Ref.
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OrganismSiegesbeckia orientalis var.pubescens
ReferenceLiang, et al., Fundamental Research on Common Traditional Chinese Medicines. Vol.2. Science Press, Beijing, (2007).

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).

Sun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)