input word = C00006267

Metabolite InformationStructural formula
Name Flavocummelin
Swertisin 4'-O-rhamnoside
Formula C28H32O14
Mw 592.17920573
CAS RN 68027-86-1
C_ID C00006267 ,
InChIKey VETQUXIFQWMMGB-NYHAICKSNA-N
InChICode InChI=1S/C28H32O14/c1-10-20(31)23(34)26(37)28(39-10)40-12-5-3-11(4-6-12)14-7-13(30)18-16(41-14)8-15(38-2)19(22(18)33)27-25(36)24(35)21(32)17(9-29)42-27/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3/t10-,17-,20+,21-,23+,24+,25-,26+,27+,28+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)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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