input word = C00051457

Metabolite InformationStructural formula
Name Mangicrocin
Formula C45H50O19
Mw 894.29462942
CAS RN 122575-51-3
C_ID C00051457
InChIKey AVMGZLNYUYKKHI-SRIXAFPQNA-N
InChICode InChI=1S/C45H50O19/c1-20(9-5-6-10-21(2)12-8-14-23(4)44(59)64-45-41(57)39(55)35(51)30(18-46)63-45)11-7-13-22(3)43(58)60-19-31-36(52)38(54)40(56)42(62-31)32-27(49)17-29-33(37(32)53)34(50)24-15-25(47)26(48)16-28(24)61-29/h5-17,30-31,35-36,38-42,45-49,51-57H,18-19H2,1-4H3
SMILES CC(/C=C/C=C(C)C(=O)OCC1OC(c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeCrocus sativus Ref.
zoom in