input word = C00046264

Metabolite InformationStructural formula
Name Pachyclavulariaenone E
(+)-Pachyclavulariaenone E
Formula C24H34O8
Mw 450.22536806
CAS RN 473882-80-3
C_ID C00046264 ,
InChIKey YIAHINSGOBHTRP-UHFFFAOYNA-N
InChICode InChI=1S/C24H34O8/c1-11-7-15(27)19-12(2)10-29-24(6)18(31-14(4)26)8-17(30-13(3)25)23(5,28)9-16-20(11)21(19)22(24)32-16/h7,12,16-22,28H,8-10H2,1-6H3/t12-,16-,17+,18+,19+,20+,21+,22-,23-,24-/m0/s1
SMILES [C@@]1(C[C@H]2[C@H]3C(=CC(=O)[C@@H]4[C@H]3[C@@H]([C@@](OC[C@@H]4C)([C@@H](C[C@H]1OC(=O)C)OC(=O)C)C)O2)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pachyclavularia violacea Ref.
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