input word = C00005361

Metabolite InformationStructural formula
Name Sexangularetin 3-glucoside-7-rhamnoside
Formula C28H32O16
Mw 624.16903498
CAS RN 47580-51-1
C_ID C00005361 ,
InChIKey LSHYTUQCUQMUJP-MGNXWVDWNA-N
InChICode InChI=1S/C28H32O16/c1-9-16(32)19(35)21(37)27(40-9)41-13-7-12(31)15-18(34)26(44-28-22(38)20(36)17(33)14(8-29)42-28)23(43-25(15)24(13)39-2)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+/m1/s1
SMILES COc1c(O[C@@H]2OC(C)[C@H](O)[C@H](O)C2O)cc(O)c2c(=O)c(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeGossypium hirsutum Ref.
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