input word = C00039715

Metabolite InformationStructural formula
Name Malagashanol
(+)-Malagashanol
Formula C22H30N2O3
Mw 370.22564284
CAS RN 243464-95-1
C_ID C00039715 ,
InChIKey JZPZTBRHWIWFEK-KSHRARDKNA-N
InChICode InChI=1S/C22H30N2O3/c1-13-16(11-25)15-10-20-22(8-9-23(20)3)18-6-4-5-7-19(18)24(14(2)26)21(22)17(15)12-27-13/h4-7,13,15-17,20-21,25H,8-12H2,1-3H3/t13-,15-,16-,17-,20+,21+,22-/m1/s1
SMILES CC(=O)N1c2ccccc2[C@]23CCN(C)[C@H]2C[C@@H]2[C@@H](CO[C@H](C)[C@H]2CO)[C@H]13
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos myrtoides Ref.
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