input word = C00025755

Metabolite InformationStructural formula
Name 6-Hydroxy-3-oxoisovoacangine
(-)-6-Hydroxy-3-oxoisovoacangine
Formula C22H26N2O5
Mw 398.18417196
CAS RN 53508-35-3
C_ID C00025755 ,
InChIKey SALCHJKMWLNFPY-QOKHCOPHNA-N
InChICode InChI=1S/C22H26N2O5/c1-4-11-7-12-9-22(21(27)29-3)18-17(16(25)10-24(19(11)22)20(12)26)14-6-5-13(28-2)8-15(14)23-18/h5-6,8,11-12,16,19,23,25H,4,7,9-10H2,1-3H3/t11-,12+,16-,19-,22+/m0/s1
SMILES CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4C(O)CN(C2=O)[C@@H]13
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana sessilifolia Bak. Ref.
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