input word = C00020961

Metabolite InformationStructural formula
Name Carolenalin 4-O-beta-D-glucoside
Formula C21H32O9
Mw 428.20463262
CAS RN
C_ID C00020961 ,
InChIKey GNGPPHNTORMMOW-MJTXYNRFNA-N
InChICode InChI=1S/C21H32O9/c1-8-4-13-11(9(2)19(26)28-13)5-12-10(8)6-15(21(12,3)27)30-20-18(25)17(24)16(23)14(7-22)29-20/h4,9-18,20,22-25,27H,5-7H2,1-3H3/t9-,10?,11+,12+,13-,14+,15+,16+,17-,18+,20-,21-/m0/s1
SMILES [C@@H]12[C@@H](C[C@H]3[C@H](C=C1C)OC(=O)[C@H]3C)[C@]([C@@H](C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium autumnale Ref.
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OrganismHelenium autumnale
ReferenceItoigawa,Yakugaku Zasshi (J. Pharm. Soc. Jpn.),101,(1981),605