input word = C00048471

Metabolite InformationStructural formula
Name Longikaurin E
Formula C22H30O6
Mw 390.20423869
CAS RN 77949-42-9
C_ID C00048471 ,
InChIKey VLCMAXYGZMNIMT-KTBFKMSJNA-N
InChICode InChI=1S/C22H30O6/c1-11-13-8-14(28-12(2)23)15-20-7-5-6-19(3,4)16(20)18(25)22(26,27-10-20)21(15,9-13)17(11)24/h13-16,18,25-26H,1,5-10H2,2-4H3/t13-,14-,15+,16-,18+,20-,21+,22-/m1/s1
SMILES [C@@]123[C@H]([C@@H]([C@@]([C@@]45[C@H]1[C@@H](C[C@@H](C(=C)C4=O)C5)OC(=O)C)(O)OC3)O)C(CCC2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon sinuolata Ref.
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