input word = C00039201

Metabolite InformationStructural formula
Name Excisusin D
(-)-Excisusin D
Formula C22H32O6
Mw 392.21988875
CAS RN 935545-95-2
C_ID C00039201 ,
InChIKey TTWNFHXEDVDVHV-VJIODKAKNA-N
InChICode InChI=1S/C22H32O6/c1-10-12-6-14(28-11(2)23)18-21(5)16(26)7-15(25)20(3,4)17(21)13(24)9-22(18,8-12)19(10)27/h12-18,24-26H,1,6-9H2,2-5H3/t12-,13+,14-,15+,16+,17-,18+,21-,22+/m1/s1
SMILES C1[C@]23C[C@@H]([C@@H]4C([C@H](C[C@@H]([C@]4([C@@H]2[C@@H](C[C@H]1C(=C)C3=O)OC(=O)C)C)O)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon excisus Ref.
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