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 c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)COC(=O)C1=CC[C@@H](CC1)C(O)(C)C)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus cypellocarpa Ref.
PlantaeMyrtaceaeEucalyptus resinifera Ref.
zoom in