input word = C00057901

Metabolite InformationStructural formula
Name Spiraein
Formula C18H24O11
Mw 416.13186161
CAS RN 14907-56-3
C_ID C00057901
InChIKey DSDFXGQRZAFFQA-ZCLRWAROSA-N
InChICode InChI=1S/C18H24O11/c19-5-8-3-1-2-4-10(8)28-18-16(25)14(23)13(22)11(29-18)7-27-17-15(24)12(21)9(20)6-26-17/h1-5,9,11-18,20-25H,6-7H2/t9-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1
SMILES O=Cc1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFilipendula ulmaria Ref.
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