input word = C00039200

Metabolite InformationStructural formula
Name Excisusin C
(-)-Excisusin C
Formula C22H34O5
Mw 378.2406242
CAS RN 935545-94-1
C_ID C00039200 ,
InChIKey CHKPKMQLJUVPLP-VZQIQSCJNA-N
InChICode InChI=1S/C22H34O5/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/h14-19,24-26H,1,5-11H2,2-4H3/t14-,15-,16+,17-,18+,19-,20-,21+,22-/m1/s1
SMILES C1[C@]23CC[C@@H]4[C@]([C@@H](CC[C@]4([C@@H]2[C@@H](C[C@H]1C(=C)[C@H]3O)O)C)O)(C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon excisus Ref.
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OrganismIsodon excisus
ReferenceHong,J.Nat.Prod.,70,(2007),632