input word = C00049537

Metabolite InformationStructural formula
Name Taxuspinanane G
Formula C37H46O11
Mw 666.30401231
CAS RN 198631-41-3
C_ID C00049537 ,
InChIKey DACUFYMHAPJQQB-NNSPRFCTNA-N
InChICode InChI=1S/C37H46O11/c1-19-28(48-30(42)16-15-25-13-11-10-12-14-25)18-29(45-22(4)39)37(9)31(19)33(43)26-17-27(44-21(3)38)20(2)32(36(26,7)8)34(46-23(5)40)35(37)47-24(6)41/h10-16,26-29,31,33-35,43H,1,17-18H2,2-9H3/b16-15+/t26-,27-,28-,29-,31-,33+,34+,35-,37+/m0/s1
SMILES C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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