input word = C00006262

Metabolite InformationStructural formula
Name Swertiajaponin 4'-O-rhamnoside
Formula C28H32O15
Mw 608.17412036
CAS RN 87440-82-2
C_ID C00006262 ,
InChIKey RHGOTOMPCZZNPZ-DSBJPBMYNA-N
InChICode InChI=1S/C28H32O15/c1-9-20(32)23(35)26(38)28(40-9)43-13-4-3-10(5-11(13)30)14-6-12(31)18-16(41-14)7-15(39-2)19(22(18)34)27-25(37)24(36)21(33)17(8-29)42-27/h3-7,9,17,20-21,23-30,32-38H,8H2,1-2H3/t9-,17-,20+,21-,23+,24+,25?,26+,27+,28+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePassifloraceaePassiflora biflora Ref.
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