input word = C00013163

Metabolite InformationStructural formula
Name Maymyrsine
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-7-(benzoyloxy)octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid
Formula C32H37NO10
Mw 595.24174641
CAS RN 93772-06-6
C_ID C00013163 ,
InChIKey HJAQUAUHINNOKT-UHFFFAOYNA-N
InChICode InChI=1S/C32H37NO10/c1-18-14-24(41-28(37)21-10-7-6-8-11-21)27(40-20(3)36)31(17-34)25(42-29(38)22-12-9-13-33-16-22)15-23-26(39-19(2)35)32(18,31)43-30(23,4)5/h6-13,16,18,23-27,34H,14-15,17H2,1-5H3/t18-,23+,24+,25+,26-,27-,31+,32+/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)CO)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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