input word = C00062315

Metabolite InformationStructural formula
Name Vinamidine
Formula C46H56N4O10
Mw 824.39964404
CAS RN 58511-83-4
C_ID C00062315
InChIKey AQXVANXWKSPKMX-UHFFFAOYSA-N
InChICode InChI=1S/C46H56N4O10/c1-8-29(53)21-28-24-45(41(54)58-6,37-31(15-19-49(25-28)26-51)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)57-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(60-27(3)52)46(39,56)42(55)59-7/h10-14,16,22-23,26,28,38-40,47,56H,8-9,15,17-21,24-25H2,1-7H3/t28-,38-,39+,40+,43+,44+,45-,46+/m0/s1;InChI=1S/C46H56N4O10/c1-8-29(53)21-28-24-45(41(54)58-6,37-31(15-19-49(25-28)26-51)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)57-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(60-27(3)52)46(39,56)42(55)59-7/h10-14,16,22-23,26,28,38-40,47,56H,8-9,15,17-21,24-25H2,1-7H3
SMILES CCC(=O)CC1CN(C=O)CCc2c([nH]c3ccccc23)C(C(=O)OC)(c2cc3c(cc2OC)N(C)C2C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC32C54)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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