input word = C00030625

Metabolite InformationStructural formula
Name Lamiuside C
Formula C35H46O20
Mw 786.25824391
CAS RN 917113-42-9
C_ID C00030625 ,
InChIKey PSFMBXYUQFAGAM-KKICWPLBNA-N
InChICode InChI=1S/C35H46O20/c1-14-24(42)28(46)32(55-34-29(47)27(45)25(43)21(12-36)52-34)35(51-14)54-31-26(44)22(13-50-23(41)7-4-15-2-5-17(37)19(39)10-15)53-33(30(31)48)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34-,35-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLamium purpureum L. Ref.
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