input word = C00042549

Metabolite InformationStructural formula
Name Gelomulide E
(-)-Gelomulide E
Formula C22H26O6
Mw 386.17293856
CAS RN 122537-63-7
C_ID C00042549 ,
InChIKey PZCBBMDYTKHBKQ-UKNXKNAHNA-N
InChICode InChI=1S/C22H26O6/c1-10-16-12(27-19(10)25)8-14-21(5)7-6-15(24)20(3,4)17(21)13(26-11(2)23)9-22(14)18(16)28-22/h6-7,12-14,17-18H,8-9H2,1-5H3/t12-,13-,14+,17-,18-,21+,22+/m1/s1
SMILES C1=C[C@@]2([C@@H](C(C1=O)(C)C)[C@@H](C[C@]13[C@H]2C[C@@H]2C(=C(C(=O)O2)C)[C@H]1O3)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeGelonium multiflorum A. Ref.
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