input word = C00041074

Metabolite InformationStructural formula
Name N-Methyltaxol C
(-)-N-Methyltaxol C
Formula C47H59NO14
Mw 861.3935556
CAS RN 153083-53-5
C_ID C00041074 ,
InChIKey LJTMOSWWGSCCPR-AJPMLUGVNA-N
InChICode InChI=1S/C47H59NO14/c1-9-10-13-22-34(52)48(8)36(29-18-14-11-15-19-29)37(53)43(56)60-31-24-47(57)41(61-42(55)30-20-16-12-17-21-30)39-45(7,32(51)23-33-46(39,25-58-33)62-28(4)50)40(54)38(59-27(3)49)35(26(31)2)44(47,5)6/h11-12,14-21,31-33,36-39,41,51,53,57H,9-10,13,22-25H2,1-8H3/t31-,32-,33+,36-,37+,38+,39-,41-,45+,46+,47+/m0/s1
SMILES [C@@]12([C@@H]([C@@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@]1(C(C(=C([C@H](C1)OC(=O)[C@H](O)[C@@H](N(C)C(=O)CCCCC)c1ccccc1)C)[C@H](C2=O)OC(=O)C)(C)C)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus media Ref.
zoom in