input word = C00013179

Metabolite InformationStructural formula
Name Eumaitenol
[3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-6-(Acetyloxy)octahydro-9-hydroxy-2,2,5a,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,10-diyl ester 3-furancarboxylic acid
Formula C27H32O10
Mw 516.19954724
CAS RN 112569-60-5
C_ID C00013179 ,
InChIKey GUBOYPRFUPUJMI-UHFFFAOYNA-N
InChICode InChI=1S/C27H32O10/c1-15(28)34-19-6-9-25(4,31)27-21(36-23(30)17-8-11-33-14-17)18(24(2,3)37-27)12-20(26(19,27)5)35-22(29)16-7-10-32-13-16/h7-8,10-11,13-14,18-21,31H,6,9,12H2,1-5H3/t18-,19+,20-,21+,25-,26+,27+/m1/s1
SMILES [C@H]12C[C@H]([C@]3([C@]([C@](CC[C@@H]3OC(=O)C)(C)O)(OC1(C)C)[C@H]2OC(=O)c1cocc1)C)OC(=O)c1cocc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus boaria Ref.
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