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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OrganismIsodon flavidus
ReferenceZhao,Phytochem.,48,(1998),1025