input word = C00006261

Metabolite InformationStructural formula
Name Swertiajaponin 2''-O-rhamnoside
Formula C28H32O15
Mw 608.17412036
CAS RN 75474-16-7
C_ID C00006261 ,
InChIKey JZGCDCHJHIMHJD-SSTVOJQBNA-N
InChICode InChI=1S/C28H32O15/c1-9-20(33)23(36)25(38)28(40-9)43-27-24(37)21(34)17(8-29)42-26(27)19-15(39-2)7-16-18(22(19)35)13(32)6-14(41-16)10-3-4-11(30)12(31)5-10/h3-7,9,17,20-21,23-31,33-38H,8H2,1-2H3/t9-,17+,20-,21+,23-,24-,25-,26-,27+,28-/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia pectoralis Ref.
PlantaeFabaceaeSecurigera coronilla Ref.
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