input word = C00033521

Metabolite InformationStructural formula
Name 11beta-Acetoxyobacunol
Formula C28H34O9
Mw 514.22028269
CAS RN 1037279-69-8
C_ID C00033521 ,
InChIKey XZMXAKZLHDEKJD-IYFWHJEINA-N
InChICode InChI=1S/C28H34O9/c1-14(29)34-16-12-26(5)21(15-8-10-33-13-15)35-23(32)22-28(26,37-22)27(6)18(30)11-17-24(2,3)36-19(31)7-9-25(17,4)20(16)27/h7-10,13,16-18,20-22,30H,11-12H2,1-6H3/t16-,17-,18+,20+,21-,22+,25-,26-,27+,28+/m0/s1
SMILES CC(=O)O[C@H]1C[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]32[C@]2(C)[C@H](O)C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cedrala odorata Ref.
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