input word = C00005586

Metabolite InformationStructural formula
Name Isorhamnetin 3-glucoside-7-gentiobioside
Formula C34H42O22
Mw 802.21677303
CAS RN 60778-00-9
C_ID C00005586 ,
InChIKey CZEPGRFOSIXBAN-VXFIHRKTNA-N
InChICode InChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)37)30-31(56-34-29(48)25(44)21(40)17(8-36)54-34)23(42)19-13(38)5-11(6-15(19)52-30)51-33-28(47)26(45)22(41)18(55-33)9-50-32-27(46)24(43)20(39)16(7-35)53-32/h2-6,16-18,20-22,24-29,32-41,43-48H,7-9H2,1H3/t16-,17-,18-,20-,21-,22-,24+,25+,26+,27-,28+,29-,32-,33-,34+/m1/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)C(O)[C@H]5O)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeNerisyrenia camporum Ref.
PlantaeCruciferaeNerisyrenia linearifolia Ref.
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