input word = C00063325

Metabolite InformationStructural formula
Name beta-(Benzoylamino)-alpha-hydroxy-benzenepropanoic acid, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-6-(3-hydroxy-1-oxobutoxy)-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester
Formula C49H55NO15
Mw 897.3571701
CAS RN 90332-68-6
C_ID C00063325
InChIKey YHFPPEJTHPISLW-ROBCKNCGSA-N
InChICode InChI=1S/C49H55NO15/c1-26(51)22-35(54)63-39-36-27(2)32(62-45(59)38(55)37(29-16-10-7-11-17-29)50-43(57)30-18-12-8-13-19-30)24-49(60,46(36,4)5)42(64-44(58)31-20-14-9-15-21-31)40-47(6,41(39)56)33(53)23-34-48(40,25-61-34)65-28(3)52/h7-21,26,32-34,37-40,42,51,53,55,60H,22-25H2,1-6H3,(H,50,57)/t26?,32-,33-,34+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1
SMILES CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)CC(C)O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)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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