input word = C00047529

Metabolite InformationStructural formula
Name Nervilifordin E
(-)-Nervilifordin E
Formula C34H42O22
Mw 802.21677303
CAS RN 1149669-53-3
C_ID C00047529 ,
InChIKey UCDRIXCTPNMJDE-HLNGAACINA-N
InChICode InChI=1S/C34H42O22/c1-49-11-5-13(39)19-15(6-11)50-29(10-2-3-14(12(38)4-10)51-32-26(46)23(43)20(40)16(7-35)52-32)31(22(19)42)56-34-28(48)25(45)30(18(9-37)54-34)55-33-27(47)24(44)21(41)17(8-36)53-33/h2-6,16-18,20-21,23-28,30,32-41,43-48H,7-9H2,1H3/t16-,17-,18-,20-,21-,23+,24+,25-,26-,27-,28-,30-,32-,33+,34+/m1/s1
SMILES c12c(c(=O)c(c(o1)c1ccc(c(c1)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)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