input word = C00047526

Metabolite InformationStructural formula
Name Nervilifordin B
(-)-Nervilifordin B
Formula C28H32O16
Mw 624.16903498
CAS RN 1149669-50-0
C_ID C00047526 ,
InChIKey PMCXCXACEVINQS-AZTRMXDKNA-N
InChICode InChI=1S/C28H32O16/c1-39-12-6-13(32)17-14(7-12)40-24(10-2-4-11(31)5-3-10)26(19(17)34)44-28-23(38)21(36)25(16(9-30)42-28)43-27-22(37)20(35)18(33)15(8-29)41-27/h2-7,15-16,18,20-23,25,27-33,35-38H,8-9H2,1H3/t15-,16-,18-,20+,21-,22-,23-,25-,27+,28+/m1/s1
SMILES COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
zoom in