input word = C00059020

Metabolite InformationStructural formula
Name 3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C42H46O23
Mw 918.24298778
CAS RN 1048949-51-4
C_ID C00059020
InChIKey OILQIXUOXVJSST-NGQGVUKESA-N
InChICode InChI=1S/C42H46O23/c1-15-28(49)32(53)35(56)40(60-15)59-14-25-30(51)34(55)39(65-41-36(57)33(54)29(50)24(62-41)13-58-26(48)9-4-16-2-6-18(43)7-3-16)42(63-25)64-38-31(52)27-22(47)11-19(44)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40+,41-,42-/m0/s1
SMILES CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGinkgoaceaeGinkgo biloba Ref.
zoom in