input word = C00041159

Metabolite InformationStructural formula
Name Taxchinin I
(-)-Taxchinin I
Formula C40H46O13
Mw 734.29384156
CAS RN 159956-46-4
C_ID C00041159 ,
InChIKey AFACRWFCMRQXCN-LOVRDORBNA-N
InChICode InChI=1S/C40H46O13/c1-21-27(49-22(2)41)19-39(37(5,6)47)30(21)31(44)33(51-35(45)25-14-10-8-11-15-25)38(7)28(50-23(3)42)18-29-40(20-48-29,53-24(4)43)32(38)34(39)52-36(46)26-16-12-9-13-17-26/h8-17,27-29,31-34,44,47H,18-20H2,1-7H3/t27-,28-,29+,31+,32-,33-,34-,38+,39-,40-/m0/s1
SMILES C1[C@@H]2[C@]([C@@H]3[C@@]([C@H]1OC(=O)C)([C@H]([C@@H](C1=C([C@H](C[C@]1([C@H]3OC(=O)c1ccccc1)C(C)(C)O)OC(=O)C)C)O)OC(=O)c1ccccc1)C)(CO2)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus x media Ref.
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