input word = C00006263

Metabolite InformationStructural formula
Name Flavocommelin
Flavocommelitin 4'-beta-D-glucopyranoside
Swertisin 4'-beta-D-glucopyranoside
Formula C28H32O15
Mw 608.17412036
CAS RN 16049-42-6
C_ID C00006263 ,
InChIKey QLOUGKRWTZAXFE-YINIOTHZNA-N
InChICode InChI=1S/C28H32O15/c1-39-14-7-15-18(22(34)19(14)27-25(37)23(35)20(32)16(8-29)42-27)12(31)6-13(41-15)10-2-4-11(5-3-10)40-28-26(38)24(36)21(33)17(9-30)43-28/h2-7,16-17,20-21,23-30,32-38H,8-9H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26-,27+,28-/m1/s1
SMILES COc1cc2oc(-c3ccc(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O)cc3)cc(=O)c2c(O)c1[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia pectoralis Ref.
PlantaeCommelinaceaeCommelina communis Ref.
PlantaeCyperaceaeCymophyllus fraseri Ref.
PlantaeGentianaceaeSwertia japonica Ref.
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