input word = C00003100

Metabolite InformationStructural formula
Name Swertiamarin
Formula C16H22O10
Mw 374.12129692
CAS RN 17388-39-5
C_ID C00003100 ,
InChIKey HEYZWPRKKUGDCR-RUDOKOIWNA-N
InChICode InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1OC=C2[C@]([C@H]1C=C)(CCOC2=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeAnthocleista procera Ref.
PlantaeGentianaceaeCentaurium erythraea Ref.
PlantaeGentianaceaeGentiana algida Ref.
PlantaeGentianaceaeGentiana cephalantha Ref.
PlantaeGentianaceaeGentiana crassicaulis Ref.
PlantaeGentianaceaeGentiana decumbers Ref.
PlantaeGentianaceaeGentiana lawrencei Ref.
PlantaeGentianaceaeGentiana lutea Ref.
PlantaeGentianaceaeGentiana macrophylla Ref.
PlantaeGentianaceaeGentiana manshurica Ref.
PlantaeGentianaceaeGentiana officinalis Ref.
PlantaeGentianaceaeGentiana rhodantha Ref.
PlantaeGentianaceaeGentiana rigescens Ref.
PlantaeGentianaceaeGentiana robusta Ref.
PlantaeGentianaceaeGentiana scabra Ref.
PlantaeGentianaceaeGentiana straminea Ref.
PlantaeGentianaceaeGentiana triflora Ref.
PlantaeGentianaceaeSwertia angustifolia Ref.
PlantaeGentianaceaeSwertia calycina Ref.
PlantaeGentianaceaeSwertia chinensis Ref.
PlantaeGentianaceaeSwertia chirata Ref.
PlantaeGentianaceaeSwertia cincta Ref.
PlantaeGentianaceaeSwertia davidii Ref.
PlantaeGentianaceaeSwertia erythrosticta Ref.
PlantaeGentianaceaeSwertia fasciculata Ref.
PlantaeGentianaceaeSwertia franchetiana Ref.
PlantaeGentianaceaeSwertia hickinii Ref.
PlantaeGentianaceaeSwertia japonica Ref.
PlantaeGentianaceaeSwertia kouitchensis Ref.
PlantaeGentianaceaeSwertia macrosperma Ref.
PlantaeGentianaceaeSwertia nervosa Ref.
PlantaeGentianaceaeSwertia patens Ref.
PlantaeGentianaceaeSwertia pseudochinensis Ref.
PlantaeGentianaceaeSwertia pubescens Ref.
PlantaeGentianaceaeSwertia punicea Ref.
PlantaeGentianaceaeSwertia punicea var.lutescens Ref.
--Enicostemma axillare Ref.
--Ericostemma litorale Ref.
--Radix gentianae Ref.
--Sertia mussotii Ref.
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