input word = C00042318

Metabolite InformationStructural formula
Name Briarlide N
(-)-Briarlide N
Formula C28H36O12
Mw 564.22067662
CAS RN 845641-24-9
C_ID C00042318 ,
InChIKey RDXNMECBXYRNLM-HFARLGJQNA-N
InChICode InChI=1S/C28H36O12/c1-13-11-21-28(27(8,40-28)24(33)39-21)23(38-17(5)32)22-25(6,10-9-19(26(22,7)34)36-15(3)30)20(37-16(4)31)12-18(13)35-14(2)29/h9-11,18-23,34H,12H2,1-8H3/b13-11-/t18-,19-,20+,21+,22-,23+,25+,26-,27+,28+/m1/s1
SMILES [C@H]1([C@@]23[C@H](/C=C(\[C@@H](C[C@@H]([C@]4([C@@H]1[C@@]([C@@H](C=C4)OC(=O)C)(O)C)C)OC(=O)C)OC(=O)C)/C)OC(=O)[C@@]2(O3)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum sp. Ref.
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