input word = C00039202

Metabolite InformationStructural formula
Name Excisusin E
(-)-Excisusin E
Formula C22H30O5
Mw 374.20932407
CAS RN 935545-96-3
C_ID C00039202 ,
InChIKey HUQHJDCFQIVPAM-CVSSFADRNA-N
InChICode InChI=1S/C22H30O5/c1-12-14-9-15(24)18-20(3)7-6-17(25)21(4,11-27-13(2)23)16(20)5-8-22(18,10-14)19(12)26/h14-16,18,24H,1,5-11H2,2-4H3/t14-,15-,16+,18+,20-,21+,22-/m1/s1
SMILES C1[C@]23CC[C@@H]4[C@](C(=O)CC[C@]4([C@@H]2[C@@H](C[C@H]1C(=C)C3=O)O)C)(C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon excisus Ref.
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