input word = C00053007

Metabolite InformationStructural formula
Name Ergophilone A
Formula C50H60O10
Mw 820.41864814
CAS RN 166603-97-0
C_ID C00053007
InChIKey SJCLLYRWNLKFEU-HULFFUFUSA-N
InChICode InChI=1S/C50H60O10/c1-25(2)26(3)9-10-27(4)36-18-29-23-50(38-20-30-19-31(51)13-15-47(30,6)35-14-16-48(36,7)43(29)42(35)38)37-22-33(11-12-40(54)55)59-24-34(37)44(56)49(8,46(50)58)60-45(57)41-28(5)17-32(52)21-39(41)53/h9-12,17,20-22,25-27,29,31,35-36,38,51-53H,13-16,18-19,23-24H2,1-8H3,(H,54,55)/b10-9+,12-11+
SMILES Cc1cc(O)cc(O)c1C(=O)OC1(C)C(=O)C2=C(C=C(/C=C/C(=O)O)OC2)C2(CC3CC(C(C)/C=C/C(C)C(C)C)C4(C)CCC5C(=C34)C2C=C2CC(O)CCC25C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium sp. BM-99 Ref.
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