input word = C00037888

Metabolite InformationStructural formula
Name Taxinine M
Formula C35H42O14
Mw 686.25745605
CAS RN 135730-55-1
C_ID C00037888 ,
InChIKey YGDMNNDIKAOMNZ-YBKSGRTANA-N
InChICode InChI=1S/C35H42O14/c1-17-24(40)14-26(46-18(2)36)34(16-44-31(42)22-11-9-8-10-12-22)27(17)28(47-19(3)37)23-13-25(41)33(7)35(43,32(23,6)15-45-33)30(49-21(5)39)29(34)48-20(4)38/h8-12,23-24,26-30,40,43H,1,13-16H2,2-7H3/t23-,24-,26-,27-,28+,29-,30-,32-,33+,34+,35-/m0/s1
SMILES C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(COC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus brevifolia Ref.
PlantaeTaxaceaeTaxus canadensis Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Sieb et Zucc Ref.
PlantaeTaxaceaeTaxus sumatrana Ref.
PlantaeTaxaceaeTaxus wallichiana Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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OrganismTaxus chinensis
ReferenceShen,Phytochem.,52,(1999),1565