input word = C00060170

Metabolite InformationStructural formula
Name [1R-[1R*,2S*,3E,5S*(alphaR*,betaS*),7S*,8S*,10R*,13S*]]-beta-(Dimethylamino)-alpha-hydroxy-benzenepropanoic acid, 13-(acetyloxy)-2,7,10-trihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.14,8]hexadeca-3,11-dien-5-yl ester
Formula C33H45NO9
Mw 599.30943204
CAS RN 160561-50-2
C_ID C00060170
InChIKey ONNIMFBTDSHYJD-SZNYQVOFSA-N
InChICode InChI=1S/C33H45NO9/c1-17-23(42-18(2)35)14-21-22(36)13-20-16-33(5,30(40)28(38)26(17)32(21,3)4)25(37)15-24(20)43-31(41)29(39)27(34(6)7)19-11-9-8-10-12-19/h8-13,21-25,27-29,36-39H,14-16H2,1-7H3/b20-13+/t21-,22-,23-,24-,25-,27-,28+,29+,33-/m0/s1
SMILES CC(=O)OC1CC2C(O)C=C3CC(C)(C(=O)C(O)C(=C1C)C2(C)C)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.
zoom in



OrganismTaxus baccata
Referencehttps://doi.org/10.1002/jlac.199519950243