input word = C00016286

Metabolite InformationStructural formula
Name Andrastin D
Formula C26H36O5
Mw 428.25627426
CAS RN 184432-08-4
C_ID C00016286 ,
InChIKey SMUNNMAWNRFDPB-LEQLXARZNA-N
InChICode InChI=1S/C26H36O5/c1-14-13-17-23(5)11-10-18(27)22(3,4)16(23)9-12-24(17,6)26(21(30)31-8)20(29)15(2)19(28)25(14,26)7/h13,16-17,28H,9-12H2,1-8H3/t16-,17+,23-,24+,25+,26-/m1/s1
SMILES C1C(=O)C([C@@H]2[C@@](C1)([C@H]1[C@](CC2)([C@]2([C@@](C(=C1)C)(C(=C(C2=O)C)O)C)C(=O)OC)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium roqueforti Ref.
FungiTrichocomaceaePenicillium sp. FO-3929 Ref.
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OrganismPenicillium sp. FO-3929
ReferenceUchida,J.Antibiotics 49,(1996),1278