input word = C00030889

Metabolite InformationStructural formula
Name Ophiorine A
Formula C26H28N2O9
Mw 512.17948051
CAS RN 99615-91-5
C_ID C00030889 ,
InChIKey MYJKHRHLAAMOED-UHFFFAOYNA-N
InChICode InChI=1S/C26H28N2O9/c1-2-11-14-9-16-19-13(12-5-3-4-6-15(12)27-19)7-8-28(16)23(18(14)24(33)34)36-25(11)37-26-22(32)21(31)20(30)17(10-29)35-26/h2-8,11,14,17-18,20-23,25-26,29-32H,1,9-10H2,(H,33,34)/t11-,14-,17-,18-,20-,21+,22-,23+,25+,26+/m0/s1
SMILES [C@@H]1(C(=O)[O-])[C@@H]2[n+]3ccc4c(c3C[C@H]1[C@@H]([C@H](O2)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)C=C)[nH]c1c4cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeOphiorrhiza japonica Ref.
PlantaeRubiaceaeOphiorrhiza kuroiwai Ref.
PlantaeRubiaceaeOphiorrhiza liukiuensis Ref.
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