input word = C00040768

Metabolite InformationStructural formula
Name 13-epi-10-Deacetylbaccatin III
(-)-13-epi-10-Deacetylbaccatin III
Formula C29H36O10
Mw 544.23084737
CAS RN 172018-16-5
C_ID C00040768 ,
InChIKey YWLXLRUDGLRYDR-DRXOYLAZNA-N
InChICode InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18+,19-,21-,22+,24+,27-,28+,29-/m1/s1
SMILES [C@@H]1([C@H]2[C@](C(=O)[C@@H](C3=C([C@@H](C[C@@]1(C3(C)C)O)O)C)O)([C@H](C[C@@H]1[C@]2(CO1)OC(=O)C)O)C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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