input word = C00003072

Metabolite InformationStructural formula
Name Asperuloside
Formula C18H22O11
Mw 414.11621155
CAS RN 14259-45-1
C_ID C00003072 ,
InChIKey IBIPGYWNOBGEMH-VOLQDIDANA-N
InChICode InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10-,11-,12+,13-,14+,15+,17+,18+/m1/s1
SMILES [C@@H]1([C@@H]([C@@H]([C@@H](O[C@@H]1CO)O[C@@H]1OC=C2[C@@H]3[C@H]1C(=C[C@H]3OC2=O)COC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWollastonia biflora Ref.
PlantaeDaphniphyllaceaeDaphniphyllum macropodum Ref.
PlantaeDaphniphyllaceaeDaphniphyllum spp. Ref.
PlantaeEscalloniaceaeEscallonia spp. Ref.
PlantaeGlobulariaceaeGlobularia davisiana Ref.
PlantaeGlobulariaceaeGlobularia trichosantha Ref.
PlantaeGlobulariaceaeGlobularia vulgaris L. Ref.
PlantaePlantaginaceaePlantago altissima Ref.
PlantaePlantaginaceaePlantago bellardi Ref.
PlantaePlantaginaceaePlantago cretica Ref.
PlantaePlantaginaceaePlantago lagopus Ref.
PlantaePlantaginaceaePlantago lanceolata Ref.
PlantaePlantaginaceaePlantago major Ref.
PlantaePlantaginaceaePlantago ovata Ref.
PlantaeRubiaceaeAsperula odorata Ref.
PlantaeRubiaceaeAsperula spp. Ref.
PlantaeRubiaceaeCoprosma propinqua Ref.
PlantaeRubiaceaeCoprosma pyrifolium Ref.
PlantaeRubiaceaeCoprosma robusta Ref.
PlantaeRubiaceaeCrucianella spp. Ref.
PlantaeRubiaceaeCruciata taurica Ref.
PlantaeRubiaceaeGalium aparine Ref.
PlantaeRubiaceaeGalium asparine Ref.
PlantaeRubiaceaeGalium spp. Ref.
PlantaeRubiaceaeLasianthus wallichii Ref.
PlantaeRubiaceaeMorinda citrifolia Ref.
PlantaeRubiaceaeMorinda coreia Ref.
PlantaeRubiaceaeOldenlandia corymbosa Ref.
PlantaeRubiaceaeOldenlandia diffusa Ref.
PlantaeRubiaceaePaederia foetida Ref.
PlantaeRubiaceaePaederia scandens Ref.
PlantaeRubiaceaeRubia tinctorum Ref.
PlantaeRubiaceaeSaprosma scortechinii Ref.
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