input word = C00006207

Metabolite InformationStructural formula
Name Isoorientin 3'-O-glucoside
Formula C27H30O16
Mw 610.15338491
CAS RN 53098-95-6
C_ID C00006207 ,
InChIKey RKWLAYUASOOQTJ-POCJQCOONA-N
InChICode InChI=1S/C27H30O16/c28-6-15-19(33)22(36)24(38)26(41-15)18-11(32)5-14-17(21(18)35)10(31)4-12(40-14)8-1-2-9(30)13(3-8)42-27-25(39)23(37)20(34)16(7-29)43-27/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16+,19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana nivalis Ref.
PlantaeGentianaceaeGentiana pedicellata Ref.
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