input word = C00041187

Metabolite InformationStructural formula
Name Taxuspine B
Formula C35H42O10
Mw 622.27779756
CAS RN 157414-05-6
C_ID C00041187 ,
InChIKey RWMXWLFXARITCC-FZUYEWRBNA-N
InChICode InChI=1S/C35H42O10/c1-19-26(42-20(2)36)16-25-28(43-21(3)37)15-24-18-35(7,33(41)32(40)31(19)34(25,5)6)29(44-22(4)38)17-27(24)45-30(39)14-13-23-11-9-8-10-12-23/h8-15,25-29,32,40H,16-18H2,1-7H3/b14-13+,24-15+/t25-,26-,27-,28-,29-,32+,35-/m0/s1
SMILES C1(=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H](/C(=C/[C@@H]([C@H](C[C@@H]1OC(=O)C)C2(C)C)OC(=O)C)/C3)OC(=O)/C=C/c1ccccc1)OC(=O)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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OrganismTaxus baccata
ReferenceShi,J.Nat.Prod.,67,(2004),108