input word = C00028156

Metabolite InformationStructural formula
Name Delbrusine
Formula C27H43NO7
Mw 493.30395274
CAS RN 76971-31-8
C_ID C00028156 ,
InChIKey ZXIRRKBJKCADDR-UHFFFAOYNA-N
InChICode InChI=1S/C27H43NO7/c1-7-28-12-24(13-29-2)9-8-18(31-4)26-16-10-15-17(30-3)11-25(19(16)20(15)32-5)27(23(26)28,35-14-34-25)22(33-6)21(24)26/h15-23H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23+,24+,25+,26+,27-/m0/s1
SMILES [C@@H]12[C@@]34[C@@H]([C@H]5[C@@](CN1CC)(CC[C@@H]([C@@]25[C@@H]1[C@@H]2[C@@]3(C[C@H]([C@@H]([C@@H]2OC)C1)OC)OCO4)OC)COC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium uncinatum Hook f.and Thomas Ref.
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