input word = C00048542

Metabolite InformationStructural formula
Name Sinuolatin E
(-)-Sinuolatin E
Formula C22H28O7
Mw 404.18350325
CAS RN 1196974-06-7
C_ID C00048542 ,
InChIKey AFHCYPUZVBANMB-LTQBUSJPNA-N
InChICode InChI=1S/C22H28O7/c1-10-12-7-13(28-11(2)23)15-21(8-12,17(10)24)19(26)29-14-5-6-20(3,4)16-18(25)27-9-22(14,15)16/h12-16,18,25H,1,5-9H2,2-4H3/t12-,13-,14+,15-,16-,18-,21+,22+/m1/s1
SMILES [C@H]12[C@]3([C@H](CCC1(C)C)OC(=O)[C@@]14[C@H]3[C@@H](C[C@@H](C(=C)C1=O)C4)OC(=O)C)CO[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon sinuolata Ref.
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