input word = C00001439

Metabolite InformationStructural formula
Name Anthemis glycoside B
Formula C34H41NO17
Mw 735.23744889
CAS RN 89354-49-4
C_ID C00001439 ,
InChIKey HIRMPNNQGZEXOM-GFOCUDRANA-N
InChICode InChI=1S/C34H41NO17/c35-12-19(17-4-2-1-3-5-17)50-34-31(45)28(42)25(39)22(52-34)15-47-32-29(43)26(40)21(14-46-32)49-23(37)11-8-16-6-9-18(10-7-16)48-33-30(44)27(41)24(38)20(13-36)51-33/h1-11,19-22,24-34,36,38-45H,13-15H2/b11-8+/t19-,20-,21-,22-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@H](O[C@@H]1CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)OC(=O)/C=C/c1ccc(cc1)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H](C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis altissima Ref.
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OrganismAnthemis altissima
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter12