input word = C00002744

Metabolite InformationStructural formula
Name Forsythiaside
Forsythoside A
Formula C29H36O15
Mw 624.20542048
CAS RN 79916-77-1
C_ID C00002744 ,
InChIKey DTOUWTJYUCZJQD-MDQWAHILNA-N
InChICode InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)OCCc1ccc(c(c1)O)O)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePhlomis lanceolata Ref.
PlantaeOleaceaeForsythia europaea Degen & Baldacci Ref.
PlantaeOleaceaeForsythia koreana Ref.
PlantaeOleaceaeForsythia suspensa Ref.
PlantaePlantaginaceaeIsoplexis chalcantha Ref.
PlantaePlantaginaceaeIsoplexis sceptrum Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
zoom in