input word = C00006297

Metabolite InformationStructural formula
Name Isopyrenin 7-O-glucoside
Formula C29H34O17
Mw 654.17959966
CAS RN 61252-86-6
C_ID C00006297 ,
InChIKey SWENSQIVQCHHFS-NUZPLLKSNA-N
InChICode InChI=1S/C29H34O17/c1-41-14-3-9(4-15(42-2)20(14)33)11-5-10(32)18-12(43-11)6-13(45-29-27(40)25(38)22(35)17(8-31)46-29)19(23(18)36)28-26(39)24(37)21(34)16(7-30)44-28/h3-6,16-17,21-22,24-31,33-40H,7-8H2,1-2H3/t16-,17+,21-,22-,24+,25+,26-,27-,28+,29-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(c(c1)OC)O)OC)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)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
PlantaeGentianaceaeGentiana pyrenaica Ref.
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