input word = C00022530

Metabolite InformationStructural formula
Name Secochiliolide acid
Formula C20H26O5
Mw 346.17802394
CAS RN 102904-56-3
C_ID C00022530 ,
InChIKey HXQMNSQWUMHREA-WDEZFIHNNA-N
InChICode InChI=1S/C20H26O5/c1-12(2)15-5-4-13(3)20(16(15)6-7-18(21)22)10-17(25-19(20)23)14-8-9-24-11-14/h8-9,11,13,16-17H,4-7,10H2,1-3H3,(H,21,22)/t13-,16+,17+,20-/m1/s1
SMILES CC(C)=C1CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNardophyllum lanatum Ref.
--Chiliotrichium rosmarinifolium Ref.
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OrganismNardophyllum lanatum
ReferenceJakupovic,Tetrahedron,42,(1986),1305