input word = C00057573

Metabolite InformationStructural formula
Name Sanguisobic acid dilactone
Formula C21H10O13
Mw 470.01214041
CAS RN 82203-11-0
C_ID C00057573
InChIKey DBLLWHYTKRSJEV-UHFFFAOYSA-N
InChICode InChI=1S/C21H10O13/c22-6-1-4(19(28)29)2-8(12(6)24)32-18-11-10-9-5(20(30)33-17(10)14(26)15(18)27)3-7(23)13(25)16(9)34-21(11)31/h1-3,22-27H,(H,28,29)
SMILES OC1=C(O)C=C2C(C3=C4C(OC5=CC(C(O)=O)=CC(O)=C5O)=C(O)C(O)=C3OC2=O)=C1OC4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSanguisorba officinalis Ref.
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