input word = C00005353

Metabolite InformationStructural formula
Name Herbacetin 3-sophoroside-8-glucoside
Formula C33H40O22
Mw 788.20112297
CAS RN 77298-68-1
C_ID C00005353 ,
InChIKey IQGKZHYKAGWLNS-TWMBYMSQNA-N
InChICode InChI=1S/C33H40O22/c34-6-13-17(40)21(44)24(47)31(49-13)53-27-12(39)5-11(38)16-20(43)29(26(52-28(16)27)9-1-3-10(37)4-2-9)54-33-30(23(46)19(42)15(8-36)51-33)55-32-25(48)22(45)18(41)14(7-35)50-32/h1-5,13-15,17-19,21-25,30-42,44-48H,6-8H2/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(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEquisetaceaeEquisetum hyemale Ref.
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