input word = C00001783

Metabolite InformationStructural formula
Name Vincristine
Formula C46H56N4O10
Mw 824.39964404
CAS RN 57-22-7
C_ID C00001783 ,
InChIKey OGWKCGZFUXNPDA-QBESMYTMNA-N
InChICode InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
SMILES c1cc2c(cc1)c1c([nH]2)[C@](C[C@@H]2CN(CC1)C[C@](C2)(O)CC)(c1c(cc2c(c1)[C@@]13[C@@H](N2C=O)[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)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeApocynaceaeVinca minor L. Ref.
PlantaeApocynaceaeVinca rosea Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
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