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 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]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)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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OrganismMeehania urticifolia
ReferenceMurata,J.Nat.Prod.,72,(2009),1049