input word = C00057615

Metabolite InformationStructural formula
Name Oleracein C
Formula C30H35NO16
Mw 665.19558408
CAS RN 872100-56-6
C_ID C00057615
InChIKey FDKIQKZQSBQELL-DBIVONCISA-N
InChICode InChI=1S/C30H35NO16/c32-10-19-22(36)24(38)26(40)29(46-19)44-14-4-1-12(2-5-14)3-6-21(35)31-15-9-18(17(34)8-13(15)7-16(31)28(42)43)45-30-27(41)25(39)23(37)20(11-33)47-30/h1-6,8-9,16,19-20,22-27,29-30,32-34,36-41H,7,10-11H2,(H,42,43)/b6-3+/t16-,19+,20+,22+,23+,24-,25-,26+,27+,29+,30+/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@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)C=C4)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/MontiaceaePortulaca oleracea Ref.
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