input word = C00030627

Metabolite InformationStructural formula
Name Lamiuside E
Formula C37H50O20
Mw 814.28954404
CAS RN 925676-11-5
C_ID C00030627 ,
InChIKey FXFHFOSEURHWMO-QSUIPDFQNA-N
InChICode InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6-/t16-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1
SMILES [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)OC(=O)/C=C\c1cc(c(cc1)O)OC)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OCCc1ccc(c(c1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLamium purpureum L. Ref.
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