input word = C00039509

Metabolite InformationStructural formula
Name Jungermatrobrunin A
Formula C24H32O8
Mw 448.209718
CAS RN 1042692-68-1
C_ID C00039509 ,
InChIKey WXIBMYGOGQQGHB-AMCPOFCWNA-N
InChICode InChI=1S/C24H32O8/c1-11-15-9-14-10-16(29-12(2)25)19-21(4,5)8-7-17(30-13(3)26)22(19,6)23(14)20(18(15)27)24(11,28)32-31-23/h10,15-20,27-28H,1,7-9H2,2-6H3/t15-,16-,17+,18-,19-,20+,22-,23-,24+/m1/s1
SMILES C1CC([C@@H]2[C@@]([C@H]1OC(=O)C)([C@@]13C(=C[C@H]2OC(=O)C)C[C@H]2[C@H]([C@@H]1[C@@](OO3)(C2=C)O)O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJungermanniaceaeJungermannia atrobrunnea Ref.
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