input word = C00041137

Metabolite InformationStructural formula
Name Taxagifine
Formula C37H44O13
Mw 696.27819149
CAS RN 81489-69-2
C_ID C00041137 ,
InChIKey FQCUWQFKTUBVLA-YIVAOXQANA-N
InChICode InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34?,35+,36+,37-/m0/s1
SMILES [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)/C=C/c1ccccc1)[C@@H]([C@@H]1CC(=O)[C@@]3([C@@]([C@]1(CO3)C)([C@H]([C@@H]2OC(=O)C)OC(=O)C)O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
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OrganismTaxus cuspidata
ReferenceParmar,Phytochem.,50,(1999),1267