input word = C00030317

Metabolite InformationStructural formula
Name Forsythoside B
Formula C34H44O19
Mw 756.24767923
CAS RN 81525-13-5
C_ID C00030317 ,
InChIKey JMBINOWGIHWPJI-SMKOKRSRNA-N
InChICode InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28?,29+,30-,31+,32-,33+,34+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO[C@H]1[C@@H]([C@@](CO1)(O)CO)O)OCCc1ccc(c(c1)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)OC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeBarleria lupulina Ref.
PlantaeLabiataeCallicarpa japonica Thunb.var.luxurians Rehd. Ref.
PlantaeLabiataeMarrubium velutinum Ref.
PlantaeLabiataeMarrubium vulgare Ref.
PlantaeLabiataePhlomis brunneogaleata Ref.
PlantaeLabiataePhlomis caucasica Ref.
PlantaeLabiataePhlomis spinidens Ref.
PlantaeOleaceaeForsythia suspensa Ref.
PlantaeOrobanchaceaePedicularis nordmanniana Ref.
PlantaeScrophulariaceaeVerbascum wiedemannianum Ref.
PlantaeVerbenaceaeLippia alba Ref.
--Pithecotenium crucigerum (L.) A.H Gentry Ref.
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