input word = C00047525

Metabolite InformationStructural formula
Name Nervilifordin A
(-)-Nervilifordin A
Formula C27H30O15
Mw 594.15847029
CAS RN 1149669-49-7
C_ID C00047525 ,
InChIKey WBTDUTNLGFJNTJ-LFTCJPTRNA-N
InChICode InChI=1S/C27H30O15/c1-37-12-6-13(30)17-15(7-12)39-23(10-2-4-11(29)5-3-10)25(19(17)33)42-27-22(36)20(34)24(16(8-28)40-27)41-26-21(35)18(32)14(31)9-38-26/h2-7,14,16,18,20-22,24,26-32,34-36H,8-9H2,1H3/t14-,16-,18+,20-,21-,22-,24-,26+,27+/m1/s1
SMILES c12c(c(=O)c(c(o1)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
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