input word = C00042050

Metabolite InformationStructural formula
Name 13-Deacetoxybaccatin I
Formula C30H42O11
Mw 578.27271219
CAS RN 214855-48-8
C_ID C00042050 ,
InChIKey WNZADBUCPRQCCO-NMRVNNCHNA-N
InChICode InChI=1S/C30H42O11/c1-14-10-11-20-24(39-17(4)33)26-29(9,21(37-15(2)31)12-22(38-16(3)32)30(26)13-36-30)27(41-19(6)35)25(40-18(5)34)23(14)28(20,7)8/h20-22,24-27H,10-13H2,1-9H3/t20-,21-,22-,24+,25+,26-,27-,29+,30+/m0/s1
SMILES [C@@]12([C@@H]([C@]3([C@H](C[C@@H]1OC(=O)C)OC(=O)C)CO3)[C@@H]([C@@H]1CCC(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
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OrganismTaxus chinensis
ReferenceMenhard,Phytochem.,49,(1998),113