input word = C00060201

Metabolite InformationStructural formula
Name (alphaR,betaS)-beta-(Dimethylamino)-alpha-hydroxy-benzenepropanoic acid, (1R,2S,3E,5S,7S,8S,10R,13S)-2,7,13-tris(acetyloxy)-10-hydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.14,8]hexadeca-3,11-dien-5-yl ester
Formula C37H49NO11
Mw 683.33056142
CAS RN 161956-28-1
C_ID C00060201
InChIKey BAMOWEPNOWRITR-CHPRBJBJSA-N
InChICode InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1
SMILES CC(=O)OC1CC2C(OC(C)=O)C=C3CC(C)(C(=O)C(O)C(=C1C)C2(C)C)C(OC(C)=O)CC3OC(=O)C(O)C(c1ccccc1)N(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
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