input word = C00041160

Metabolite InformationStructural formula
Name Taxchinin J
Formula C42H48O13
Mw 760.30949162
CAS RN 162558-77-2
C_ID C00041160 ,
InChIKey IDZBMHPXAGXGNB-PUAZKGFNNA-N
InChICode InChI=1S/C42H48O13/c1-23-29(53-32(46)19-18-27-14-10-8-11-15-27)21-41(39(5,6)49)33(23)34(47)36(54-38(48)28-16-12-9-13-17-28)40(7)30(51-24(2)43)20-31-42(22-50-31,55-26(4)45)35(40)37(41)52-25(3)44/h8-19,29-31,34-37,47,49H,20-22H2,1-7H3/b19-18+/t29-,30-,31+,34+,35-,36-,37-,40+,41-,42-/m0/s1
SMILES CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](OC(=O)/C=C/c4ccccc4)C(C)=C3[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
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