input word = C00042554

Metabolite InformationStructural formula
Name Genipin gentiobioside
Genipin-gentiobioside
Formula C23H34O15
Mw 550.18977042
CAS RN 29307-60-6
C_ID C00042554 ,
InChIKey FYZYXYLPBWLLGI-QHNFUXTENA-N
InChICode InChI=1S/C23H34O15/c1-33-20(32)10-6-34-21(13-8(4-24)2-3-9(10)13)38-23-19(31)17(29)15(27)12(37-23)7-35-22-18(30)16(28)14(26)11(5-25)36-22/h2,6,9,11-19,21-31H,3-5,7H2,1H3/t9-,11-,12-,13-,14-,15-,16+,17+,18-,19-,21+,22-,23+/m1/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia jasminoides Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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