input word = C00043848

Metabolite InformationStructural formula
Name Prinsepiol 4-O-beta-D-glucopyranoside
Prinsepiol-4-O-beta-D-glucoside
Formula C26H32O13
Mw 552.18429111
CAS RN 536745-95-6
C_ID C00043848 ,
InChIKey IBQVOWQTGYYRJP-ZKEFYJMBNA-N
InChICode InChI=1S/C26H32O13/c1-34-16-7-12(3-5-14(16)28)22-25(32)10-37-23(26(25,33)11-36-22)13-4-6-15(17(8-13)35-2)38-24-21(31)20(30)19(29)18(9-27)39-24/h3-8,18-24,27-33H,9-11H2,1-2H3/t18-,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1
SMILES [C@]12([C@@]([C@H](OC1)c1cc(c(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)(CO[C@@H]2c1cc(c(cc1)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana prionophylla Ref.
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