input word = C00005697

Metabolite InformationStructural formula
Name Gossypetin 3-sophoroside-8-glucoside
Formula C33H40O23
Mw 804.19603759
CAS RN 77306-93-5
C_ID C00005697 ,
InChIKey LVSYCSMVGYSMTF-TWMBYMSQNA-N
InChICode InChI=1S/C33H40O23/c34-5-13-17(41)21(45)24(48)31(50-13)54-27-12(40)4-11(39)16-20(44)29(26(53-28(16)27)8-1-2-9(37)10(38)3-8)55-33-30(23(47)19(43)15(7-36)52-33)56-32-25(49)22(46)18(42)14(6-35)51-32/h1-4,13-15,17-19,21-25,30-43,45-49H,5-7H2/t13-,14+,15+,17+,18+,19+,21-,22-,23-,24+,25+,30-,31-,32-,33-/m0/s1
SMILES c1(cc(c2c(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)oc(c(c2=O)O[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)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEquisetaceaeEquisetum hyemale Ref.
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