input word = C00010644

Metabolite InformationStructural formula
Name Paederosidic acid
Formula C18H24O12S
Mw 464.09884696
CAS RN 18842-98-3
C_ID C00010644 ,
InChIKey ICTKKPLVSHVNDV-JOSXOTMGNA-N
InChICode InChI=1S/C18H24O12S/c1-31-18(26)28-4-6-2-8(20)11-7(15(24)25)5-27-16(10(6)11)30-17-14(23)13(22)12(21)9(3-19)29-17/h2,5,8-14,16-17,19-23H,3-4H2,1H3,(H,24,25)/t8-,9-,10-,11+,12-,13+,14+,16+,17-/m1/s1
SMILES [C@H]12[C@H]([C@@H](OC=C1C(=O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)C(=C[C@H]2O)COC(=O)SC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePaederia scandens Ref.
PlantaeRubiaceaeSaprosma scortechinii Ref.
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