input word = C00040893

Metabolite InformationStructural formula
Name Baccatin VI
(-)-Baccatin VI
Formula C37H46O14
Mw 714.28875618
CAS RN 57672-79-4
C_ID C00040893 ,
InChIKey UJFKTEIDORFVQS-QAGKEIHBNA-N
InChICode InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-37(44)32(50-33(43)24-13-11-10-12-14-24)30-35(9,26(47-20(3)39)15-27-36(30,17-45-27)51-23(6)42)31(49-22(5)41)29(48-21(4)40)28(18)34(37,7)8/h10-14,25-27,29-32,44H,15-17H2,1-9H3/t25-,26-,27+,29+,30-,31-,32-,35+,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@@]1(C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus canadensis Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus mairei Ref.
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OrganismTaxus cuspidata
ReferenceBai,J.Nat.Prod.,68,(2005),497