input word = C00031722

Metabolite InformationStructural formula
Name Darutigenol
Formula C20H34O3
Mw 322.25079495
CAS RN 5940-00-1
C_ID C00031722 ,
InChIKey NCAZLDCEJHFJDT-MZBIWHQRNA-N
InChICode InChI=1S/C20H34O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16-,17+,19+,20+/m1/s1
SMILES CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)C=C3CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePalafoxia arida Ref.
--Siegesbeckia orientalis L. Ref.
--Siegesbeckia pubescens Ref.
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