input word = C00042397

Metabolite InformationStructural formula
Name Cladionol A
(+)-Cladionol A
Formula C45H80O16
Mw 876.54463651
CAS RN 853261-99-1
C_ID C00042397 ,
InChIKey GRDLKOZEWJLCMH-MOFZLMBUNA-N
InChICode InChI=1S/C45H80O16/c1-13-22(2)14-23(3)15-29(9)43(61-45-42(56)41(55)40(54)35(60-45)21-58-32(12)47)30(10)18-27(7)37(51)25(5)16-24(4)36(50)26(6)17-28(8)38(52)31(11)44(57)59-20-34(49)39(53)33(48)19-46/h16-18,22-23,25-26,29-31,33-43,45-46,48-56H,13-15,19-21H2,1-12H3/b24-16+,27-18+,28-17+/t22-,23+,25+,26+,29+,30+,31+,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43+,45-/m0/s1
SMILES [C@@H]1([C@H]([C@@H]([C@H](O[C@H]1O[C@@H]([C@H](C)/C=C(/[C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C(/[C@@H]([C@H](C(=O)OC[C@H]([C@@H]([C@@H](CO)O)O)O)C)O)\C)C)O)\C)C)O)\C)[C@@H](C[C@@H](C[C@H](CC)C)C)C)COC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeGliocladium sp. Ref.
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