input word = C00034018

Metabolite InformationStructural formula
Name Lactucopicrin-15-oxalate
Formula C25H22O10
Mw 482.12129692
CAS RN 303130-75-8
C_ID C00034018 ,
InChIKey AUULYUITRYGGJX-HASYLGPENA-N
InChICode InChI=1S/C25H22O10/c1-11-7-17(34-18(28)8-13-3-5-15(26)6-4-13)20-12(2)24(31)35-22(20)21-14(9-16(27)19(11)21)10-33-25(32)23(29)30/h3-6,9,17,20-22,26H,2,7-8,10H2,1H3,(H,29,30)/t17-,20+,21-,22-/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(COC(=O)C(=O)O)=CC(=O)C3=C(C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa L. Ref.
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