input word = C00001744

Metabolite InformationStructural formula
Name Leurosine
Formula C46H56N4O9
Mw 808.40472942
CAS RN 23360-92-1
C_ID C00001744 ,
InChIKey LPGWZGMPDKDHEP-RGLLKGLVNA-N
InChICode InChI=1S/C46H56N4O9/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3/t27-,36-,37-,38-,39-,42-,43+,44-,45+,46+/m1/s1
SMILES c1cc2c(cc1)c1c([nH]2)[C@](C[C@@H]2CN(CC1)C[C@]1([C@@H]2O1)CC)(c1c(cc2c(c1)[C@@]13[C@@H](N2C)[C@@]([C@@H]([C@]2([C@H]1N(CC=C2)CC3)CC)OC(=O)C)(O)C(=O)OC)OC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus lanceus Ref.
PlantaeApocynaceaeCatharanthus longifolius Ref.
PlantaeApocynaceaeCatharanthus ovalis Ref.
PlantaeApocynaceaeCatharanthus pusillus Ref.
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeApocynaceaeCatharanthus spp. Ref.
PlantaeApocynaceaeVinca rosea Ref.
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