input word = C00036173

Metabolite InformationStructural formula
Name Neoglabrescin B
Formula C20H30O8
Mw 398.19406794
CAS RN 625823-64-5
C_ID C00036173 ,
InChIKey ZCRNYQYHLSLSTH-XISIKCRJNA-N
InChICode InChI=1S/C20H30O8/c1-8-5-11-19(26)9(2)6-10(22)12-13(19)15(28-17(12,3)4)18(25,7-21)16(24)20(11,27)14(8)23/h5,9,11-16,21,23-27H,6-7H2,1-4H3/t9-,11+,12-,13-,14+,15-,16-,18-,19-,20-/m1/s1
SMILES [C@@]12([C@H]3[C@]([C@@H]([C@]([C@H]4[C@H]1[C@@H](C(=O)C[C@H]2C)C(O4)(C)C)(CO)O)O)([C@H](C(=C3)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeNeoboutonia glabrescens Prain Ref.
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