input word = C00022493

Metabolite InformationStructural formula
Name Methyl 2beta,3beta-dihydroxy-8(17),13E-labdadien-15-oate
Formula C21H34O4
Mw 350.24570957
CAS RN 107390-49-8
C_ID C00022493 ,
InChIKey PATPXUKYSPLHNV-JPAWXVGNNA-N
InChICode InChI=1S/C21H34O4/c1-13(11-18(23)25-6)7-9-15-14(2)8-10-17-20(3,4)19(24)16(22)12-21(15,17)5/h11,15-17,19,22,24H,2,7-10,12H2,1,3-6H3/b13-11+/t15-,16-,17-,19-,21+/m0/s1
SMILES C=C1CCC2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C/C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNolana rostrata Ref.
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