input word = C00049994

Metabolite InformationStructural formula
Name Anthothecol
(+)-Anthothecol
Formula C28H32O7
Mw 480.21480338
CAS RN 10410-83-0
C_ID C00049994 ,
InChIKey AJTULIWKBMDPCJ-XAQRQLBSNA-N
InChICode InChI=1S/C28H32O7/c1-14(29)34-17-12-26(5)16(15-8-10-33-13-15)11-19-28(26,35-19)27(6)21(17)25(4)9-7-18(30)24(2,3)22(25)20(31)23(27)32/h7-10,13,16-17,19,21,31H,11-12H2,1-6H3/t16-,17+,19+,21+,25?,26-,27-,28+/m0/s1
SMILES CC(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]32[C@]2(C)C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@]3(C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya anthotheca Ref.
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