input word = C00057614

Metabolite InformationStructural formula
Name Oleracein B
Formula C25H27NO12
Mw 533.15332534
CAS RN 872100-55-5
C_ID C00057614
InChIKey HTRBZHHBMJDWGG-CGHSGWKJSA-N
InChICode InChI=1S/C25H27NO12/c1-36-17-6-11(2-4-15(17)28)3-5-20(30)26-13-9-18(16(29)8-12(13)7-14(26)24(34)35)37-25-23(33)22(32)21(31)19(10-27)38-25/h2-6,8-9,14,19,21-23,25,27-29,31-33H,7,10H2,1H3,(H,34,35)/b5-3+/t14-,19+,21+,22-,23+,25+/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(OC)=C(O)C=C4)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/MontiaceaePortulaca oleracea Ref.
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