input word = C00001703

Metabolite InformationStructural formula
Name Carapanaubine
Formula C23H28N2O6
Mw 428.19473664
CAS RN 1255-02-3
C_ID C00001703 ,
InChIKey QIZNWMMOECVGAP-ZVXWLCEANA-N
InChICode InChI=1S/C23H28N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,11-14,20H,5-7,10H2,1-4H3,(H,24,27)/t12-,13-,14-,20-,23+/m0/s1
SMILES [C@@H]12[C@@H](C(=CO[C@H]1C)C(=O)OC)C[C@@H]1N(C2)CC[C@]21c1c(NC2=O)cc(c(c1)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma carapanauba Ref.
PlantaeApocynaceaeVinca pubescens Ref.
PlantaeApocynaceaeVinca sardoa Ref.
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