input word =
C00030317
Metabolite Information
Structural 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
Plantae
Acanthaceae
Barleria lupulina
Ref.
Plantae
Labiatae
Callicarpa japonica Thunb.var.luxurians Rehd.
Ref.
Plantae
Labiatae
Marrubium velutinum
Ref.
Plantae
Labiatae
Marrubium vulgare
Ref.
Plantae
Labiatae
Phlomis brunneogaleata
Ref.
Plantae
Labiatae
Phlomis caucasica
Ref.
Plantae
Labiatae
Phlomis spinidens
Ref.
Plantae
Oleaceae
Forsythia suspensa
Ref.
Plantae
Orobanchaceae
Pedicularis nordmanniana
Ref.
Plantae
Scrophulariaceae
Verbascum wiedemannianum
Ref.
Plantae
Verbenaceae
Lippia alba
Ref.
-
-
Pithecotenium crucigerum (L.) A.H Gentry
Ref.
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