input word = C00055457

Metabolite InformationStructural formula
Name 11,13-Dihydro-13-prolyllactupicrin
Formula C28H31NO9
Mw 525.1998816
CAS RN 1085526-65-3
C_ID C00055457
InChIKey CQBJKIZHLSYGOO-JVSWDTAMSA-N
InChICode InChI=1S/C28H31NO9/c1-14-9-21(37-22(33)10-15-4-6-17(31)7-5-15)25-18(12-29-8-2-3-19(29)27(34)35)28(36)38-26(25)24-16(13-30)11-20(32)23(14)24/h4-7,11,18-19,21,24-26,30-31H,2-3,8-10,12-13H2,1H3,(H,34,35)/t18-,19-,21-,24-,25+,26+/m0/s1
SMILES CC1=C2[C@@](C(CO)=CC2=O)([H])[C@]3([H])[C@@]([C@H](CN4[C@H](C(O)=O)CCC4)C(O3)=O)([H])[C@@H](OC(CC5=CC=C(O)C=C5)=O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
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