input word = C00042057

Metabolite InformationStructural formula
Name 19-Hydroxy-10-deacetylbaccatin III
Formula C29H36O11
Mw 560.22576199
CAS RN 154083-99-5
C_ID C00042057 ,
InChIKey LCBRTOBUIDCSID-OECOXNDYNA-N
InChICode InChI=1S/C29H36O11/c1-14-17(32)11-29(37)24(39-25(36)16-8-6-5-7-9-16)22-27(12-30,23(35)21(34)20(14)26(29,3)4)18(33)10-19-28(22,13-38-19)40-15(2)31/h5-9,17-19,21-22,24,30,32-34,37H,10-13H2,1-4H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
SMILES C1(=C2C([C@@](C[C@@H]1O)([C@H]([C@H]1[C@](C(=O)[C@@H]2O)([C@H](C[C@@H]2[C@]1(CO2)OC(=O)C)O)CO)OC(=O)c1ccccc1)O)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus sumatrana Ref.
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OrganismTaxus sumatrana
ReferenceShen,J.Nat.Prod.,68,(2005),90