input word = C00057613

Metabolite InformationStructural formula
Name Oleracein A
Formula C24H25NO11
Mw 503.14276065
CAS RN 872100-54-4
C_ID C00057613
InChIKey VICXKBPMEPRWFK-GTKZJKJXSA-N
InChICode InChI=1S/C24H25NO11/c26-10-18-20(30)21(31)22(32)24(36-18)35-17-9-14-12(8-16(17)28)7-15(23(33)34)25(14)19(29)6-3-11-1-4-13(27)5-2-11/h1-6,8-9,15,18,20-22,24,26-28,30-32H,7,10H2,(H,33,34)/b6-3+/t15-,18+,20+,21-,22+,24+/m0/s1
SMILES O=C(O)[C@@H]1CC2=CC(O)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=C2N1C(/C=C/C4=CC=C(O)C=C4)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/MontiaceaePortulaca oleracea Ref.
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