input word = C00005362

Metabolite InformationStructural formula
Name Sexangularetin 3-rhamnoside-7-glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 85966-35-4
C_ID C00005362 ,
InChIKey OISDRTXCDFHKEA-QJQDYSTENA-N
InChICode InChI=1S/C28H32O16/c1-9-16(32)19(35)21(37)27(40-9)44-26-18(34)15-12(31)7-13(41-28-22(38)20(36)17(33)14(8-29)42-28)24(39-2)25(15)43-23(26)10-3-5-11(30)6-4-10/h3-7,9,14,16-17,19-22,27-33,35-38H,8H2,1-2H3/t9-,14-,16-,17-,19+,20-,21-,22+,27-,28+/m0/s1
SMILES c1(cc(c2c(c1OC)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLotus corniculatus Ref.
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