input word = C00046265

Metabolite InformationStructural formula
Name Pachyclavulariaenone F
(+)-Pachyclavulariaenone F
Formula C22H32O7
Mw 408.21480338
CAS RN 473882-81-4
C_ID C00046265 ,
InChIKey HGCHDTMKJFVBHB-UHFFFAOYNA-N
InChICode InChI=1S/C22H32O7/c1-10-6-13(24)17-11(2)9-27-22(5)15(25)7-16(28-12(3)23)21(4,26)8-14-18(10)19(17)20(22)29-14/h6,11,14-20,25-26H,7-9H2,1-5H3/t11-,14+,15-,16+,17-,18-,19-,20+,21-,22+/m1/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)O)C)O2)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pachyclavularia violacea Ref.
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