input word = C00036418

Metabolite InformationStructural formula
Name 15-Benzoyl-7,9-dideacetyl-abeo-baccatin VI
Formula C33H42O12
Mw 630.26762681
CAS RN 287474-26-4
C_ID C00036418 ,
InChIKey YKYDWPUNQKSEIE-AIQSVATONA-N
InChICode InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-32(30(5,6)45-29(40)20-11-9-8-10-12-20)24(16)25(43-18(3)35)27(38)31(7)22(37)13-23-33(15-41-23,44-19(4)36)26(31)28(32)39/h8-12,21-23,25-28,37-39H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33-/m0/s1
SMILES [C@@H]12[C@]([C@H]([C@@H](C3=C([C@H](C[C@]3([C@H]1O)C(OC(=O)c1ccccc1)(C)C)OC(=O)C)C)OC(=O)C)O)([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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