input word = C00036417

Metabolite InformationStructural formula
Name 15-Benzoyl-10-deacetyl-2-debenzoyl-10-dehydro-abeo-baccatin III
Formula C29H34O10
Mw 542.21519731
CAS RN 287474-25-3
C_ID C00036417 ,
InChIKey SWGNGOLBOQXCPA-DTHNRJQMNA-N
InChICode InChI=1S/C29H34O10/c1-14-17(31)12-28(26(3,4)39-25(36)16-9-7-6-8-10-16)20(14)21(33)23(34)27(5)18(32)11-19-29(13-37-19,38-15(2)30)22(27)24(28)35/h6-10,17-19,22,24,31-32,35H,11-13H2,1-5H3/t17-,18-,19+,22-,24-,27+,28-,29-/m0/s1
SMILES [C@@H]12[C@](C(=O)C(=O)C3=C([C@H](C[C@]3([C@H]1O)C(OC(=O)c1ccccc1)(C)C)O)C)([C@H](C[C@@H]1[C@]2(CO1)OC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus canadensis Ref.
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