input word = C00059468

Metabolite InformationStructural formula
Name (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-7-hydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methylcyclopenta[c]pyran-1-yl beta-D-glucopyranoside
Formula C24H30O11
Mw 494.1788118
CAS RN 124168-05-4
C_ID C00059468
InChIKey VNLQWWMRJUXEDD-HXBOHEENSA-N
InChICode InChI=1S/C24H30O11/c1-24(31)10-15(33-17(27)7-4-12-2-5-13(26)6-3-12)14-8-9-32-22(18(14)24)35-23-21(30)20(29)19(28)16(11-25)34-23/h2-9,14-16,18-23,25-26,28-31H,10-11H2,1H3/b7-4+/t14-,15+,16+,18+,19+,20-,21+,22-,23-,24-/m0/s1
SMILES CC1(O)CC(OC(=O)C=Cc2ccc(O)cc2)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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