input word = C00060575

Metabolite InformationStructural formula
Name (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (alphaR,betaS)-beta-[(cyclobutylcarbonyl)amino]-alpha-hydroxybenzenepropanoate
Formula C43H51NO13
Mw 789.33604072
CAS RN 189136-30-9
C_ID C00060575
InChIKey DWBVCWJRJDDDTP-WRQGHVPGSA-N
InChICode InChI=1S/C43H51NO13/c1-22-27(55-39(52)33(48)31(24-13-8-6-9-14-24)44-37(50)25-17-12-18-25)20-43(53)36(56-38(51)26-15-10-7-11-16-26)34-41(5,35(49)32(47)30(22)40(43,3)4)28(46)19-29-42(34,21-54-29)57-23(2)45/h6-11,13-16,25,27-29,31-34,36,46-48,53H,12,17-21H2,1-5H3,(H,44,50)/t27-,28-,29+,31-,32+,33+,34-,36-,41+,42-,43+/m0/s1
SMILES CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)C4CCC4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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OrganismTaxus cuspidata
Referencehttps://doi.org/10.1016/S0960-894X(97)00029-2