input word = C00044754

Metabolite InformationStructural formula
Name Excoecarin R1
Formula C40H64O11
Mw 720.44486289
CAS RN 479665-78-6
C_ID C00044754 ,
InChIKey KMXLRHXOEPGTOP-OQJZYEGHNA-N
InChICode InChI=1S/C40H64O11/c1-12-35(6)17-13-26-37(8,22-30(44)45)25(15-18-38(26,9)50-35)34(4,5)32(48)49-23-28(41)40(11)20-16-27-36(7,21-29(42)43)24(33(2,3)31(46)47)14-19-39(27,10)51-40/h12,24-28,41H,1,13-23H2,2-11H3,(H,42,43)(H,44,45)(H,46,47)/t24-,25-,26+,27+,28-,35-,36-,37-,38+,39+,40-/m1/s1
SMILES C=C[C@@]1(CC[C@@H]2[C@@](O1)(CC[C@@H]([C@]2(CC(=O)O)C)C(C)(C)C(=O)OC[C@@H](O)[C@@]1(C)CC[C@@H]2[C@@](O1)(CC[C@@H]([C@@]2(C)CC(=O)O)C(C)(C(=O)O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeExcoecaria agallocha Ref.
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