input word = C00049838

Metabolite InformationStructural formula
Name Stecholide J
Formula C28H36O12
Mw 564.22067662
CAS RN 152339-97-4
C_ID C00049838 ,
InChIKey WORMNGGWWJXJFS-XFXZXTDPNA-N
InChICode InChI=1S/C28H36O12/c1-12-9-10-19-28(27(8,40-28)25(34)39-19)23(37-16(5)31)20-13(2)11-18(33)22(36-15(4)30)26(20,7)24(38-17(6)32)21(12)35-14(3)29/h9,11,18-24,33H,10H2,1-8H3/b12-9-/t18-,19-,20+,21-,22-,23+,24+,26+,27+,28+/m1/s1
SMILES C1=C([C@@H]2[C@@]([C@@H]([C@@H]1O)OC(=O)C)([C@H]([C@@H](/C(=C\C[C@@H]1[C@]3([C@H]2OC(=O)C)[C@@](C(=O)O1)(C)O3)/C)OC(=O)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum sp. Ref.
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