input word = C00013145

Metabolite InformationStructural formula
Name Ejap 4
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol
Formula C32H40O13
Mw 632.24689137
CAS RN 122475-53-0
C_ID C00013145 ,
InChIKey NFOQLYSQUBGBCQ-UHFFFAOYNA-N
InChICode InChI=1S/C32H40O13/c1-16-14-23(40-18(3)34)26(42-20(5)36)31(15-39-17(2)33)28(44-29(38)22-12-10-9-11-13-22)25(41-19(4)35)24-27(43-21(6)37)32(16,31)45-30(24,7)8/h9-13,16,23-28H,14-15H2,1-8H3/t16-,23+,24+,25+,26+,27-,28-,31+,32+/m1/s1
SMILES O1[C@@]23[C@]([C@@H]([C@H]([C@H](C1(C)C)[C@H]3OC(=O)C)OC(=O)C)OC(=O)c1ccccc1)([C@H]([C@H](C[C@H]2C)OC(=O)C)OC(=O)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus japonicus Ref.
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