input word = C00045189

Metabolite InformationStructural formula
Name 6-epi-Paederosidic acid
(-)-6-epi-Paederosidic acid
Formula C18H24O12S
Mw 464.09884696
CAS RN 435278-17-4
C_ID C00045189 ,
InChIKey ICTKKPLVSHVNDV-DPHSZDEKNA-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-/m0/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O)O)C(=C[C@@H]2O)COC(=O)SC)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeSaprosma scortechinii Ref.
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