input word = C00031684

Metabolite InformationStructural formula
Name Cnidioside A
Formula C17H20O9
Mw 368.11073224
CAS RN 141896-53-9
C_ID C00031684 ,
InChIKey OHMWGMHIZWOKHV-KSVFAZNENA-N
InChICode InChI=1S/C17H20O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h3-6,12,14-18,21-23H,1-2,7H2,(H,19,20)/t12-,14-,15+,16-,17-/m1/s1
SMILES O=C(O)CCc1cc2ccoc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica furcijuga KITAGAWA Ref.
PlantaeRutaceaeRuta graveolens Ref.
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