input word = C00040769

Metabolite InformationStructural formula
Name 14beta-Hydroxy-10-deacetylbaccatin III
Formula C29H36O11
Mw 560.22576199
CAS RN 145533-34-2
C_ID C00040769 ,
InChIKey FNZPZCTVRVPPAB-HSIZAJNVNA-N
InChICode InChI=1S/C29H36O11/c1-13-18-20(33)22(34)27(5)16(31)11-17-28(12-38-17,40-14(2)30)21(27)24(39-25(36)15-9-7-6-8-10-15)29(37,26(18,3)4)23(35)19(13)32/h6-10,16-17,19-21,23-24,31-33,35,37H,11-12H2,1-5H3/t16-,17+,19+,20+,21-,23-,24-,27+,28-,29+/m0/s1
SMILES [C@@H]1([C@H]2[C@](C(=O)[C@@H](C3=C([C@H]([C@@H]([C@@]1(C3(C)C)O)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 wallichiana Ref.
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