input word = C00013141

Metabolite InformationStructural formula
Name Alatolin
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,10-diacetate 4,6,7-tribenzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol
Formula C42H44O13
Mw 756.27819149
CAS RN 60389-86-8
C_ID C00013141 ,
InChIKey MGHSCXCFVZJHPT-UHFFFAOYNA-N
InChICode InChI=1S/C42H44O13/c1-24-22-31(52-37(46)28-16-10-7-11-17-28)34(54-39(48)30-20-14-9-15-21-30)41(23-49-25(2)43)36(51-27(4)45)33(53-38(47)29-18-12-8-13-19-29)32-35(50-26(3)44)42(24,41)55-40(32,5)6/h7-21,24,31-36H,22-23H2,1-6H3/t24-,31+,32-,33+,34-,35+,36-,41-,42-/m0/s1
SMILES O1[C@@]23[C@]([C@H]([C@@H]([C@H](C1(C)C)[C@H]3OC(=O)C)OC(=O)c1ccccc1)OC(=O)C)([C@H]([C@@H](C[C@@H]2C)OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus alatus Ref.
PlantaeCelastraceaeEuonymus europaeus Ref.
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