input word = C00030685

Metabolite InformationStructural formula
Name Lobetyolinin
Formula C26H38O13
Mw 558.2312413
CAS RN 142451-48-7
C_ID C00030685 ,
InChIKey GDLSOFWVVAOUJI-FWTOVJONNA-N
InChICode InChI=1S/C26H38O13/c1-2-3-4-5-7-10-15(29)16(11-8-6-9-12-27)37-26-24(35)22(33)20(31)18(39-26)14-36-25-23(34)21(32)19(30)17(13-28)38-25/h2-3,8,11,15-35H,6,9,12-14H2,1H3/b3-2+,11-8+/t15-,16-,17+,18-,19+,20+,21-,22+,23+,24-,25+,26-/m0/s1
SMILES C/C=C/C#CC#CC(O)C(/C=C/CCCO)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaeCodonopsis clematidea Ref.
PlantaeCaryophyllaceaePratia nummularia Ref.
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