input word = C00040894

Metabolite InformationStructural formula
Name Baccatin VII
Formula C36H52O14
Mw 708.33570637
CAS RN 57672-80-7
C_ID C00040894 ,
InChIKey XBVXASYQLGSARL-UHFFFAOYNA-N
InChICode InChI=1S/C36H52O14/c1-11-12-13-14-27(42)49-32-30-34(10,25(46-20(4)38)15-26-35(30,17-44-26)50-23(7)41)31(48-22(6)40)29(47-21(5)39)28-18(2)24(45-19(3)37)16-36(32,43)33(28,8)9/h24-26,29-32,43H,11-17H2,1-10H3/t24-,25+,26-,29+,30-,31-,32-,34-,35+,36-/m1/s1
SMILES CCCCCC(=O)OC1C2C3(OC(C)=O)COC3CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C2=C(C)C(OC(C)=O)CC1(O)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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