input word = C00060198

Metabolite InformationStructural formula
Name [1S-[1alpha,3beta(alphaS*,betaR*),4abeta,5beta,6beta,8beta,11alpha,12beta,12aalpha]]-beta-(Dimethylamino)-alpha-hydroxy-benzenepropanoic acid, 1,5,8,11,12-pentakis(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6-hydroxy-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-3-yl ester
Formula C41H55NO14
Mw 785.36225547
CAS RN 161956-24-7
C_ID C00060198
InChIKey KPOWRRDYXUYBJR-JFGMEVQSSA-N
InChICode InChI=1S/C41H55NO14/c1-20-28(56-38(49)34(48)33(42(11)12)27-16-14-13-15-17-27)18-30(52-23(4)44)40(10)32(20)36(54-25(6)46)41(50)19-29(51-22(3)43)21(2)31(39(41,8)9)35(53-24(5)45)37(40)55-26(7)47/h13-17,28-30,32-37,48,50H,1,18-19H2,2-12H3/t28-,29-,30-,32-,33-,34+,35+,36-,37-,40+,41+/m0/s1
SMILES C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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