input word = C00035224

Metabolite InformationStructural formula
Name 3-O-Acetylanthothecanolide
(-)-3-O-Acetylanthothecanolide
Formula C28H34O11
Mw 546.21011193
CAS RN 861660-02-8
C_ID C00035224 ,
InChIKey NKDXTBIRGROVAP-SGANKPDZNA-N
InChICode InChI=1S/C28H34O11/c1-14(29)37-21-22(2,3)17-9-18(30)36-13-24(17)16-5-7-23(4)20(15-6-8-35-11-15)38-19(31)10-27(23,33)26(16)12-25(21,32)28(24,34)39-26/h6,8,11,16-17,20-21,32-34H,5,7,9-10,12-13H2,1-4H3/t16-,17+,20+,21+,23+,24-,25-,26-,27+,28-/m1/s1
SMILES CC(=O)OC1C(C)(C)[C@@H]2CC(=O)OC[C@@]23[C@H]2CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@]4(O)[C@@]24CC1(O)C3(O)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya anthotheca Ref.
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