input word = C00037559

Metabolite InformationStructural formula
Name Nodosin
Formula C27H30O15
Mw 594.15847029
CAS RN 155545-07-6
C_ID C00037559 ,
InChIKey OBNFHDULZZPDMI-CEQDMYQCNA-N
InChICode InChI=1S/C27H30O15/c1-8-18(32)22(36)24(38)27(40-8)42-26-23(37)20(34)15(6-28)41-25(26)16-13(31)5-14-17(21(16)35)19(33)11(7-39-14)10-3-2-9(29)4-12(10)30/h2-5,7-8,15,18,20,22-32,34-38H,6H2,1H3/t8-,15+,18-,20-,22+,23-,24+,25-,26+,27-/m0/s1
SMILES c12c(c(=O)c(co1)c1c(cc(cc1)O)O)c(c(c(c2)O)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
PlantaeLabiataeIsodon japonicus Hara. Ref.
PlantaeLabiataeIsodon oresbia Ref.
PlantaeLabiataeIsodon sculponeatus Ref.
PlantaeLabiataeIsodon sinuolata Ref.
PlantaeLabiataeIsodon trichocarpus Ref.
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OrganismIsodon sinuolata
ReferenceHe,Phytochem.,70,(2009),1462