input word = C00041188

Metabolite InformationStructural formula
Name Taxuspine C
Formula C35H42O9
Mw 606.28288294
CAS RN 38046-79-6
C_ID C00041188 ,
InChIKey RDKGWOCOLMOGRF-ZYNUHGFLNA-N
InChICode InChI=1S/C35H42O9/c1-19-26(39)18-25-29(41-21(3)36)35-20(2)27(44-28(40)15-14-24-12-10-9-11-13-24)16-17-33(35,8)30(42-22(4)37)31(43-23(5)38)34(19,35)32(25,6)7/h9-15,19,25,27,29-31H,2,16-18H2,1,3-8H3/b15-14+/t19-,25-,27-,29+,30-,31-,33-,34+,35+/m0/s1
SMILES [C@H]1([C@@H]2CC(=O)[C@@H]([C@]3([C@]41[C@]([C@H]([C@@H]3OC(=O)C)OC(=O)C)(CC[C@@H](C4=C)OC(=O)/C=C/c1ccccc1)C)C2(C)C)C)OC(=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 yunnanensis
ReferenceShinozaki,J.Nat.Prod.,64,(2001),1073