input word = C00037966

Metabolite InformationStructural formula
Name Tubasenecine
Formula C27H39NO7
Mw 489.27265261
CAS RN 144425-13-8
C_ID C00037966 ,
InChIKey KKYDPPWGPQTTKD-UHFFFAOYNA-N
InChICode InChI=1S/C27H39NO7/c1-18(2)16-25(31)28-15-13-21-8-10-22(11-9-21)32-17-24-27(7,35-24)14-12-23(33-19(3)29)26(5,6)34-20(4)30/h8-11,16,23-24H,12-15,17H2,1-7H3,(H,28,31)/t23-,24-,27-/m0/s1
SMILES c1(ccc(cc1)CCNC(=O)C=C(C)C)OC[C@H]1[C@@](O1)(CC[C@H](OC(=O)C)C(C)(C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum tuberculatum (Forssk.) Al Juss. Ref.
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