input word = C00041163

Metabolite InformationStructural formula
Name Taxine B
Formula C33H45NO8
Mw 583.31451742
CAS RN 1361-51-9
C_ID C00041163 ,
InChIKey XMZFIBDTPOUHMW-UHFFFAOYNA-N
InChICode InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m0/s1
SMILES [C@]12([C@H](C(=C)[C@@H](CC1)OC(=O)C[C@H](N(C)C)c1ccccc1)[C@H]([C@]1(CC(=O)C(=C(C1(C)C)[C@@H]([C@H]2O)OC(=O)C)C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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