input word = C00040776

Metabolite InformationStructural formula
Name 19-Hydroxybaccatin III
Formula C31H38O12
Mw 602.23632668
CAS RN 78432-78-7
C_ID C00040776 ,
InChIKey SYDMVWLQJZBPIU-SUCFIWPZNA-N
InChICode InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3/t19-,20-,21+,23+,24-,26-,29+,30-,31?/m0/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)OC(=O)C)([C@H](C[C@@H]1[C@]2(CO1)OC(=O)C)O)CO)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus brevifolia Ref.
PlantaeTaxaceaeTaxus canadensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus sumatrana Ref.
PlantaeTaxaceaeTaxus wallichiana Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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