input word = C00024332

Metabolite InformationStructural formula
Name (-)-Flexicorine
Formula C41H44N4O5
Mw 672.33117054
CAS RN 80765-85-1
C_ID C00024332 ,
InChIKey SJBSCGJKIAGAAP-ONARIXCTNA-N
InChICode InChI=1S/C41H44N4O5/c1-6-20-18-44-11-10-40-26-15-32(46)24(13-28(26)42-41(40,44)9-8-22(20)35(40)38(48)50-5)25-12-27-29(16-33(25)49-4)43(3)36-30-14-23-21(7-2)19-45(30)31-17-39(27,36)37(47)34(23)31/h6-7,12-13,15-16,22-23,30-31,34-36H,8-11,14,17-19H2,1-5H3/b20-6-,21-7-/t22-,23+,30+,31+,34+,35-,36+,39-,40-,41-/m0/s1
SMILES c1(c(cc2c(c1)[C@]13[C@H](N2C)[C@@H]2N4[C@H](C1)[C@@H]([C@H](C2)/C(=C\C)/C4)C3=O)OC)C1=CC2=N[C@]34[C@]5(C2=CC1=O)CCN3C/C(=C/C)/[C@H](CC4)[C@H]5C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauvolfia reflexa Ref.
PlantaeApocynaceaeRauvolfia sumatrana Ref.
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