input word = C00022254

Metabolite InformationStructural formula
Name (ent-6alpha,13E)-6,16-Dihydroxy-17-oxo-7,13-labdadien-15-oic acid
Formula C20H30O5
Mw 350.20932407
CAS RN
C_ID C00022254 ,
InChIKey KUYGTNJOUIZLNV-WXXJTFBPNA-N
InChICode InChI=1S/C20H30O5/c1-19(2)7-4-8-20(3)15(6-5-13(11-21)9-17(24)25)14(12-22)10-16(23)18(19)20/h9-10,12,15-16,18,21,23H,4-8,11H2,1-3H3,(H,24,25)/b13-9+/t15-,16+,18-,20+/m1/s1
SMILES CC1(C)CCC[C@@]2(C)[C@H](CC/C(=CC(=O)O)CO)C(C=O)=C[C@@H](O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
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