input word = C00040456

Metabolite InformationStructural formula
Name Taxol C
(-)-Taxol C
Formula C46H57NO14
Mw 847.37790554
CAS RN 153415-45-3
C_ID C00040456 ,
InChIKey BEHTXUBGUDGCNQ-DHJLOJMYNA-N
InChICode InChI=1S/C46H57NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)/t30-,31-,32+,35-,36+,37+,38-,40-,44+,45-,46+/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](c1ccccc1)NC(=O)CCCCC)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 chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus media Ref.
PlantaeTaxaceaeTaxus x media Ref.
PlantaeTaxaceaeTaxus yunanensis Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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