input word = C00027669

Metabolite InformationStructural formula
Name 12-Hydroxy-11-methoxydiaboline
Formula C22H26N2O5
Mw 398.18417196
CAS RN 95260-32-5
C_ID C00027669 ,
InChIKey BCKDRLNZTWKJHT-PCBGPLAHNA-N
InChICode InChI=1S/C22H26N2O5/c1-11(25)24-18-14(3-4-15(28-2)19(18)26)22-6-7-23-10-12-5-8-29-21(27)17(20(22)24)13(12)9-16(22)23/h3-5,13,16-17,20-21,26-27H,6-10H2,1-2H3/t13-,16-,17+,20-,21+,22+/m0/s1
SMILES COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3[C@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos panganensis Ref.
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