input word = C00013830

Metabolite InformationStructural formula
Name Herbacetin 7-methyl ether 8-sophoroside
Formula C28H32O17
Mw 640.1639496
CAS RN
C_ID C00013830 ,
InChIKey IXGAHCAIEKZIDY-OWTZLJHYNA-N
InChICode InChI=1S/C28H32O17/c1-40-12-6-11(32)15-18(35)21(38)23(9-2-4-10(31)5-3-9)43-25(15)24(12)44-28-26(20(37)17(34)14(8-30)42-28)45-27-22(39)19(36)16(33)13(7-29)41-27/h2-6,13-14,16-17,19-20,22,26-34,36-39H,7-8H2,1H3/t13-,14-,16-,17-,19+,20+,22-,26+,27+,28+/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O)c(cc(c2O[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)CO)O)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeRanunculus sardous Ref.
zoom in