input word = C00040784

Metabolite InformationStructural formula
Name 1-Dehydroxybaccatin VI
(-)-1-Dehydroxybaccatin VI
Formula C37H46O13
Mw 698.29384156
CAS RN 125037-14-1
C_ID C00040784 ,
InChIKey JHPBZGSKESVROC-QHCUFNSENA-N
InChICode InChI=1S/C37H46O13/c1-18-26(45-19(2)38)15-25-30(49-34(43)24-13-11-10-12-14-24)32-36(9,27(46-20(3)39)16-28-37(32,17-44-28)50-23(6)42)33(48-22(5)41)31(47-21(4)40)29(18)35(25,7)8/h10-14,25-28,30-33H,15-17H2,1-9H3/t25-,26-,27-,28+,30+,31+,32-,33-,36+,37-/m0/s1
SMILES [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1OC(=O)C)OC3)OC(=O)C)[C@@H]([C@@H]1C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus mairei Ref.
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