input word = C00023385

Metabolite InformationStructural formula
Name ent-8beta,16-Dihydroxy-17-nor-6,13E-labdadien-15-oic acid
Formula C19H30O4
Mw 322.21440945
CAS RN
C_ID C00023385 ,
InChIKey XLSRXADEUVBXFM-WXXWQZHNNA-N
InChICode InChI=1S/C19H30O4/c1-18(2)9-4-10-19(3)14(15(21)7-8-16(18)19)6-5-13(12-20)11-17(22)23/h7-8,11,14-16,20-21H,4-6,9-10,12H2,1-3H3,(H,22,23)/b13-11+/t14-,15+,16-,19+/m1/s1
SMILES CC1(C)CCC[C@@]2(C)[C@H](CC/C(=CC(=O)O)CO)[C@@H](O)C=C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
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