input word = C00042996

Metabolite InformationStructural formula
Name Severinolide
(+)-Severinolide
Formula C31H38O11
Mw 586.24141206
CAS RN 192134-46-6
C_ID C00042996 ,
InChIKey DJFLHRMMRIDIKR-CNCSTSRANA-N
InChICode InChI=1S/C31H38O11/c1-16(32)39-21-22-27(3,4)38-15-30(22,12-9-20(34)36-7)19-8-11-28(5)23(18-10-13-37-14-18)41-26(35)25-31(28,42-25)29(19,6)24(21)40-17(2)33/h9-10,12-14,19,21-25H,8,11,15H2,1-7H3/b12-9+/t19-,21+,22-,23-,24+,25+,28-,29-,30-,31+/m0/s1
SMILES COC(=O)/C=C/[C@@]12COC(C)(C)[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@@]312
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeSeverinia buxifolia Ref.
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