input word = C00013138

Metabolite InformationStructural formula
Name Euolalin
[3R-[3alpha,5beta(S*),5aalpha,6alpha,7alpha,9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-6,7-bis(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 2-methylbutanoic acid
Formula C38H46O12
Mw 694.29892693
CAS RN 56691-82-8
C_ID C00013138 ,
InChIKey AZRZVACGBRWLFT-UHFFFAOYNA-N
InChICode InChI=1S/C38H46O12/c1-8-22(2)32(41)48-29-19-27-30(46-24(4)40)38(50-35(27,5)6)36(7,44)20-28(47-33(42)25-15-11-9-12-16-25)31(37(29,38)21-45-23(3)39)49-34(43)26-17-13-10-14-18-26/h9-18,22,27-31,44H,8,19-21H2,1-7H3/t22-,27-,28+,29+,30+,31-,36-,37+,38+/m0/s1
SMILES O1[C@@]23[C@]([C@@H](C[C@H](C1(C)C)[C@H]3OC(=O)C)OC(=O)[C@@H](C)CC)([C@H]([C@@H](C[C@]2(C)O)OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus alatus Ref.
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