input word = C00013164

Metabolite InformationStructural formula
Name Acetylmaymyrsine
Maymyrsine acetate
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-7-(benzoyloxy)octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid
Formula C34H39NO11
Mw 637.2523111
CAS RN 93772-07-7
C_ID C00013164 ,
InChIKey POTZRPXUXIFDOH-UHFFFAOYNA-N
InChICode InChI=1S/C34H39NO11/c1-19-15-26(44-30(39)23-11-8-7-9-12-23)29(43-22(4)38)33(18-41-20(2)36)27(45-31(40)24-13-10-14-35-17-24)16-25-28(42-21(3)37)34(19,33)46-32(25,5)6/h7-14,17,19,25-29H,15-16,18H2,1-6H3/t19-,25+,26+,27+,28-,29-,33+,34+/m0/s1
SMILES [C@H]12C[C@H]([C@]3([C@]([C@H](C[C@H]([C@@H]3OC(=O)C)OC(=O)c3ccccc3)C)(OC1(C)C)[C@H]2OC(=O)C)COC(=O)C)OC(=O)c1cccnc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus myrsinoides Ref.
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