input word = C00031151

Metabolite InformationStructural formula
Name Resinoside B
Formula C31H34O13
Mw 614.19994117
CAS RN 144027-79-2
C_ID C00031151 ,
InChIKey XJYKKSWBSUUWAV-UHFFFAOYNA-N
InChICode InChI=1S/C31H34O13/c1-31(2,40)16-7-3-15(4-8-16)29(39)41-13-21-23(35)25(37)26(38)30(43-21)44-28-24(36)22-19(34)11-18(33)12-20(22)42-27(28)14-5-9-17(32)10-6-14/h3,5-6,9-12,16,21,23,25-26,30,32-35,37-38,40H,4,7-8,13H2,1-2H3/t16-,21+,23+,25+,26-,30-/m0/s1
SMILES CC(C)(O)C1CC=C(C(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus cypellocarpa Ref.
PlantaeMyrtaceaeEucalyptus resinifera Ref.
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