input word = C00041186

Metabolite InformationStructural formula
Name Taxuspine A
Formula C42H48O11
Mw 728.31966238
CAS RN 157374-28-2
C_ID C00041186 ,
InChIKey MWIQLLBFLJOMOS-XEARUSGBNA-N
InChICode InChI=1S/C42H48O11/c1-24-31-22-42(40(6,7)48)23-33(49-26(3)43)25(2)36(42)37(53-39(47)30-17-13-10-14-18-30)38(51-28(5)45)41(31,8)34(50-27(4)44)21-32(24)52-35(46)20-19-29-15-11-9-12-16-29/h9-20,31-34,37-38,48H,1,21-23H2,2-8H3/b20-19+/t31-,32+,33+,34+,37-,38+,41+,42+/m1/s1
SMILES [C@H]1([C@]2([C@H](C[C@]3(C(=C([C@H](C3)OC(=O)C)C)[C@H]1OC(=O)c1ccccc1)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 brevifolia Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
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OrganismTaxus cuspidata
ReferenceParmar,Phytochem.,50,(1999),1267