input word = C00044755

Metabolite InformationStructural formula
Name Excoecarin R2
Formula C40H64O11
Mw 720.44486289
CAS RN 479665-79-7
C_ID C00044755 ,
InChIKey UJSMZYAHJLWZEJ-RIMGOVANNA-N
InChICode InChI=1S/C40H64O11/c1-12-35(6)17-13-26-37(8,25(34(4,5)32(47)48)14-18-38(26,9)50-35)22-30(44)49-23-28(41)40(11)20-16-27-36(7,21-29(42)43)24(33(2,3)31(45)46)15-19-39(27,10)51-40/h12,24-28,41H,1,13-23H2,2-11H3,(H,42,43)(H,45,46)(H,47,48)/t24-,25-,26+,27+,28-,35+,36-,37-,38+,39+,40-/m1/s1
SMILES [C@@H]1(CC[C@]2([C@H]([C@@]1(CC(=O)OC[C@@H](O)[C@@]1(O[C@@]3([C@@H](CC1)[C@]([C@H](CC3)C(C)(C)C(=O)O)(C)CC(=O)O)C)C)C)CC[C@](O2)(C)C=C)C)C(C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeExcoecaria agallocha Ref.
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