input word = C00058244

Metabolite InformationStructural formula
Name Smyrindioloside
Formula C20H24O10
Mw 424.13694699
CAS RN 87592-77-6
C_ID C00058244
InChIKey KLPNFWKZLQAVTH-LDCXIIFCSA-N
InChICode InChI=1S/C20H24O10/c1-20(2,30-19-17(26)16(25)15(24)12(7-21)29-19)18-14(23)9-5-8-3-4-13(22)27-10(8)6-11(9)28-18/h3-6,12,14-19,21,23-26H,7H2,1-2H3/t12-,14-,15-,16+,17-,18+,19+/m1/s1
SMILES CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Oc2cc3oc(=O)ccc3cc2[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica archangelica Ref.
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