input word = C00059464

Metabolite InformationStructural formula
Name Nomilin glucoside
Formula C34H46O15
Mw 694.2836708
CAS RN 123564-62-5
C_ID C00059464
InChIKey GIVMXHQLQAIYEX-XOYLVOKASA-N
InChICode InChI=1S/C34H46O15/c1-15(36)45-21-12-22(38)48-30(2,3)19-11-20(37)33(6)18(32(19,21)5)7-9-31(4,34(33)27(49-34)28(42)43)26(16-8-10-44-14-16)47-29-25(41)24(40)23(39)17(13-35)46-29/h8,10,14,17-19,21,23-27,29,35,39-41H,7,9,11-13H2,1-6H3,(H,42,43)/t17-,18-,19+,21-,23-,24+,25-,26?,27+,29+,31+,32-,33+,34?/m1/s1
SMILES CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC(C)(C(OC4OC(CO)C(O)C(O)C4O)c4ccoc4)C34OC4C(=O)O)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sinensis Ref.
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