input word = C00061467

Metabolite InformationStructural formula
Name 2-[4-(beta-D-Glucopyranuronosyloxy)phenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
Formula C33H34O23
Mw 798.1490874
CAS RN 332422-31-8
C_ID C00061467
InChIKey ZXGPWPMIUHWEOJ-OFFAAIFBSA-N
InChICode InChI=1S/C33H34O23/c34-11-5-10(51-33-27(21(41)20(40)26(55-33)30(48)49)56-32-23(43)17(37)19(39)25(54-32)29(46)47)6-14-15(11)12(35)7-13(52-14)8-1-3-9(4-2-8)50-31-22(42)16(36)18(38)24(53-31)28(44)45/h1-7,16-27,31-34,36-43H,(H,44,45)(H,46,47)(H,48,49)/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+,31+,32-,33+/m0/s1
SMILES O=C(O)C1OC(Oc2ccc(-c3cc(=O)c4c(O)cc(OC5OC(C(=O)O)C(O)C(O)C5OC5OC(C(=O)O)C(O)C(O)C5O)cc4o3)cc2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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