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 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)[C@H](O)[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus wallichiana Ref.
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OrganismTaxus wallichiana
ReferenceParmar,Phytochem.,50,(1999),1267