input word = C00039198

Metabolite InformationStructural formula
Name Excisusin A
(-)-Excisusin A
Formula C22H32O5
Mw 376.22497413
CAS RN 935545-91-8
C_ID C00039198 ,
InChIKey NSAONOIMMKIRAT-RMDHOBLYNA-N
InChICode InChI=1S/C22H32O5/c1-12-14-9-15(25)18-20(3)7-6-17(27-13(2)24)21(4,11-23)16(20)5-8-22(18,10-14)19(12)26/h14-18,23,25H,1,5-11H2,2-4H3/t14-,15-,16+,17+,18+,20-,21+,22-/m1/s1
SMILES C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(CO)[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]2[C@H](O)CC1C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon excisus Ref.
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