input word = C00036021

Metabolite InformationStructural formula
Name 7-epi-Taxol
Epitaxol
Formula C47H51NO14
Mw 853.33095535
CAS RN 105454-04-4
C_ID C00036021 ,
InChIKey RCINICONZNJXQF-INYKFIHQNA-N
InChICode InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32+,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
SMILES [C@H]1(C2=C([C@H](C[C@@]([C@H]([C@H]3[C@](C1=O)([C@@H](C[C@@H]1[C@]3(CO1)OC(=O)C)O)C)OC(=O)c1ccccc1)(C2(C)C)O)OC(=O)[C@@H]([C@@H](NC(=O)c1ccccc1)c1ccccc1)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus brevifolia Ref.
PlantaeTaxaceaeTaxus canadensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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