input word = C00036002

Metabolite InformationStructural formula
Name 2'beta-Deacetoxyaustrospicatine
Formula C39H53NO10
Mw 695.36694692
CAS RN 119777-80-9
C_ID C00036002 ,
InChIKey NNPJVZHKKMTATL-IHOWBALVNA-N
InChICode InChI=1S/C39H53NO10/c1-21-29-17-28-18-31(46-23(3)41)22(2)35(38(28,7)8)36(48-25(5)43)37(49-26(6)44)39(29,9)33(47-24(4)42)20-32(21)50-34(45)19-30(40(10)11)27-15-13-12-14-16-27/h12-16,28-33,36-37H,1,17-20H2,2-11H3/t28-,29-,30-,31+,32+,33+,36-,37+,39+/m1/s1
SMILES [C@H]1(C2=C([C@H](C[C@@H](C[C@H]3[C@]([C@H]1OC(=O)C)([C@H](C[C@@H](C3=C)OC(=O)C[C@@H](N(C)C)c1ccccc1)OC(=O)C)C)C2(C)C)OC(=O)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeAustrotaxus spicata Ref.
PlantaeTaxaceaeTaxus wallichiana Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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