input word = C00041194

Metabolite InformationStructural formula
Name Taxuspine M
Formula C35H44O10
Mw 624.29344763
CAS RN 173560-69-5
C_ID C00041194 ,
InChIKey KKUSQQKRXOHDJQ-IEQOTTARNA-N
InChICode InChI=1S/C35H44O10/c1-19-25-17-35(33(6,7)41)18-27(42-21(3)36)20(2)30(35)31(40)32(44-23(5)38)34(25,8)28(43-22(4)37)16-26(19)45-29(39)15-14-24-12-10-9-11-13-24/h9-15,25-28,31-32,40-41H,1,16-18H2,2-8H3/b15-14+/t25-,26+,27-,28-,31-,32-,34-,35-/m0/s1
SMILES [C@H]1([C@]2([C@@H](C[C@]3(C(=C([C@H](C3)OC(=O)C)C)[C@@H]1O)C(C)(O)C)C(=C)[C@@H](C[C@@H]2OC(=O)C)OC(=O)/C=C/c1ccccc1)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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OrganismTaxus cuspidata
ReferenceParmar,Phytochem.,50,(1999),1267