input word = C00006391

Metabolite InformationStructural formula
Name Isoorientin 3'-O-glucuronide
Formula C27H28O17
Mw 624.13264947
CAS RN 64052-95-5
C_ID C00006391 ,
InChIKey OPUUZMZQZDANRJ-ZWQAOCLINA-N
InChICode InChI=1S/C27H28O17/c28-6-14-17(32)19(34)21(36)24(42-14)16-10(31)5-13-15(18(16)33)9(30)4-11(41-13)7-1-2-8(29)12(3-7)43-27-23(38)20(35)22(37)25(44-27)26(39)40/h1-5,14,17,19-25,27-29,31-38H,6H2,(H,39,40)/t14-,17-,19+,20+,21-,22+,23-,24+,25+,27-/m1/s1
SMILES O=C(O)C1O[C@@H](Oc2cc(-c3cc(=O)c4c(O)c([C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c(O)cc4o3)ccc2O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeRhynchospora eximia Ref.
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