input word = C00023544

Metabolite InformationStructural formula
Name Gymnocolin
Formula C22H28O6
Mw 388.18858863
CAS RN 37299-07-3
C_ID C00023544 ,
InChIKey VSQQXFIEQXSFMB-WHNSJVRCNA-N
InChICode InChI=1S/C22H28O6/c1-12-8-18-21(3)15(20(24)28-18)4-5-16-19(21)22(12,11-26-13(2)23)9-17(27-16)14-6-7-25-10-14/h6-7,10,12,15-19H,4-5,8-9,11H2,1-3H3/t12-,15+,16-,17+,18+,19+,21+,22-/m1/s1
SMILES C1C[C@@H]2[C@@]3([C@@H]4[C@@H]1O[C@@H](C[C@]4([C@@H](C[C@@H]3OC2=O)C)COC(=O)C)c1cocc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScapaniaceaeGymnocolea inflata Ref.
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