input word = C00050830

Metabolite InformationStructural formula
Name Inflexarabdonin E
(-)-Inflexarabdonin E
Formula C22H30O6
Mw 390.20423869
CAS RN 124960-77-6
C_ID C00050830
InChIKey FEYILEFRZKYEBR-MWGVYMCONA-N
InChICode InChI=1S/C22H30O6/c1-10-12-6-13(24)18-21(5)15(26)7-16(28-11(2)23)20(3,4)17(21)14(25)9-22(18,8-12)19(10)27/h12-13,15-18,24,26H,1,6-9H2,2-5H3/t12-,13+,15+,16+,17-,18+,21-,22+/m1/s1
SMILES C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon inflexa Ref.
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